chlorophacinone (CAS 3691-35-8) — Safety Data Sheet

Safety data sheet documentation for chlorophacinone (CAS 3691-35-8), compiled to REACH Annex II with classification read against the harmonised entry in CLP Annex VI (H360D, H330, H310, H300). Two options: a working draft sent by e-mail immediately, or a signed card issued within 72 hours of complete input. The item supplied is a document — MolGod.org does not sell, supply or ship chemical substances.

Free, and generated automatically from the sources listed on this page. No person has reviewed it, and it describes the substance in general — not your material, your process or your intended market.

REACH 2020/878
v4 · 07.09.2026
Download Safety Data Sheet (PDF)CAS 3691-35-8 · PDF · 193 KBWorking draft — not yet reviewed and approved.

Section 9 — physicochemical properties: 6 of 22 established.

We show what is established and name what is not. Classification and identity are complete on every card; section 9 is where public data is thin.

This page sells the documentation for this substance, not the substance. Choose the level you need.

  1. €0Audit the sheet you already haveSend us your existing sheet for this substance and we tell you what is wrong with it. One per company. If it turns out to be sound, you buy nothing.Start the free audit →
  2. €49.99Working draftThe complete sixteen-section document, referenced, downloadable immediately after checkout. The right choice while the paperwork is still moving.
  3. €249.99Signed cardThe same document reviewed and signed, issued within 72 hours of complete input — for the moment somebody official asks who stands behind it.

Documentation available for this substance: safety data sheet · CLP label · certificate of analysis on request · specification. Languages: the official language of your destination market, produced per card.

Grade, purity, physical form, packaging, minimum order and lead time are not shown, because MolGod does not supply the material — those are facts about a seller, and there is no seller on this page. They appear on storefronts we build for suppliers, where somebody can answer for them.

See a finished document firstFull price list →

What you receive — and what this is not

What you receive

  • A digital PDF safety data sheet in the sixteen-section structure of REACH Annex II (Regulation 1907/2006).
  • Substance identification, hazard classification, physicochemical, toxicological and ecological information, and regulatory references.
  • Classification read against the harmonised entry in CLP Annex VI where one exists for the substance.
  • A version number, a compilation date, and the source behind each value that carries one.
  • Delivery by e-mail. Nothing is shipped.

What this is not

  • Not a chemical substance, not a sample, not any physical goods.
  • Not a certification. No official certification scheme for safety data sheets exists in the European Union.
  • Not legal approval, and not a guarantee of compliance in any jurisdiction.
  • Not a substitute for your own regulatory assessment, nor for the safety data sheet supplied by the manufacturer or importer of the substance you actually hold.
  • Not adapted to a specific workplace, process or national annex unless you provide that information.

Where the available evidence does not support a value, the sheet states that the value is not established rather than estimating one. A field with no recorded source is marked as such.

What is in the buyer pack

Everything your compliance officer will ask for, in one file.

  • The product page as PDF — the record as published, so what you forward matches what you read.
  • The safety data sheet at your entitlement level — sixteen sections in the order set by REACH Annex II, for this substance, in the language you select.
  • The CLP label artwork — generated from the same classification as the sheet, so the two cannot disagree.
  • The specification, and the certificate of analysis where batch data exists.
  • sources.txt — every citation with the date it was read.
  • An explicit list of what we could not establish — fields marked unavailable rather than filled with an estimate. This is the honest part of the document and we do not hide it in a footnote.

Your European buyer is going to forward this to somebody who was not on the call. The pack exists so that what they forward is complete, self-explanatory and traceable — rather than four attachments and a sentence beginning “I think this is everything”.

These switch the language of this page. Single substances. Mixtures on enquiry. One document, one language — additional languages are priced separately. Every version, including the Chinese one, is written to EU law — (EC) No 1907/2006 (REACH) Annex II and (EU) 2020/878 — and translated from it. The Chinese version is a reference translation, not a legally valid document for the Chinese market: an SDS for China must be compiled separately to GB/T 16483 and GB/T 17519.

🧬 3D Molecule Visualizer
Loading molecule...
3D model Chlorophacinone, CAS 3691-35-8, molecular formula C23H15ClO3, molar mass 374.8 g/mol

Data transcribed from regulatory registers and technical literature, with the source and edition stated. It does not replace the supplier's safety data sheet. Fields without a recorded source are marked as such.

📊 Physicochemical data — CAS 3691-35-8
📊 Physicochemical properties

Quick Reference

Formula: C23H15ClO3
MW: 374.8 g/mol
CAS: 3691-35-8
Appearance: Pale yellow crystals
Odour: Odorless
🔬 Advanced Properties

Chemical Identifiers

SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O

Last updated: 2026-08-25

Chemical Overview: Chlorophacinone
Molecular formulaC23H15ClO3[1]
Molecular weight374.8 g/mol[1]
Melting point140 °C[2]
Density1.43 g/cm³
LogP (lipophilicity)4.3[1]
IUPAC name2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione[1]
SMILESC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O[1]
InChIKeyUDHXJZHVNHGCEC-UHFFFAOYSA-N[1]

Synonyms: CHLOROPHACINONE · 3691-35-8 · Liphadione · Chlorphacinon · Redentin

Data sources: PubChem (NLM/NIH)
Last updated: 2026-08-25

📚 Scientific references (Chicago Author-Date) (2 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: Molecular formula · Molecular weight · LogP (lipophilicity) · IUPAC name · SMILES · InChIKey
  2. NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ applies to: Melting point

SCIENTIFIC RESEARCH

[1]PubMed2022
Radke SL, Schrunk DE, Ruane A et al.. (2022). "Acute hemorrhage and death in calves following chlorophacinone exposure.". Journal of veterinary diagnostic investigation : official publication of the A
[2]PubMed2020
Moriceau MA, Lefebvre S, Fourel I et al.. (2020). "Accidental chlorophacinone exposure of lactating ewes: Clinical follow-up and human health dietary implications.". Food and chemical toxicology : an
[3]PubMed2018
Alomar H, Chabert A, Coeurdassier M et al.. (2018). "Accumulation of anticoagulant rodenticides (chlorophacinone, bromadiolone and brodifacoum) in a non-target invertebrate, the slug, Deroceras reticu
[4]PubMed2016
Witmer GW, Snow NP, Moulton RS. (2016). "Retention time of chlorophacinone in black-tailed prairie dogs informs secondary hazards from a prairie dog rodenticide bait.". Pest management science. https:
[5]PubMed2016
Hsu CW, Hsieh JH, Huang R et al.. (2016). "Differential modulation of FXR activity by chlorophacinone and ivermectin analogs.". Toxicology and applied pharmacology. https://doi.org/10.1016/j.taap.2016
[6]PubMed2015
Rattner BA, Horak KE, Lazarus RS et al.. (2015). "Toxicity reference values for chlorophacinone and their application for assessing anticoagulant rodenticide risk to raptors.". Ecotoxicology (London,
[7]PubMed2013
Vein J, Vey D, Fourel I et al.. (2013). "Bioaccumulation of chlorophacinone in strains of rats resistant to anticoagulants.". Pest management science. https://doi.org/10.1002/ps.3367
[8]PubMed2012
Vyas NB, Hulse CS, Rice CP. (2012). "Chlorophacinone residues in mammalian prey at a black-tailed prairie dog colony.". Environmental toxicology and chemistry. https://doi.org/10.1002/etc.1968
📚 Scientific references (Chicago Author-Date) 14 refs · 2 baz

MOLECULE Per-CAS bibliography (live from 13+ databases)

Sources: db:pubmed (13) · db:crossref (1)

  1. db:pubmed Radke SL, Schrunk DE, Ruane A et al.. (2022). "Acute hemorrhage and death in calves following chlorophacinone exposure.". Journal of veterinary diagnostic investigation : official publication of the American Association of Veterinary Laboratory Diagnosticians, Inc. https://doi.org/10.1177/10406387211069369 →
  2. db:pubmed Moriceau MA, Lefebvre S, Fourel I et al.. (2020). "Accidental chlorophacinone exposure of lactating ewes: Clinical follow-up and human health dietary implications.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2020.111518 →
  3. db:pubmed Alomar H, Chabert A, Coeurdassier M et al.. (2018). "Accumulation of anticoagulant rodenticides (chlorophacinone, bromadiolone and brodifacoum) in a non-target invertebrate, the slug, Deroceras reticulatum.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2017.08.117 →
  4. db:pubmed Witmer GW, Snow NP, Moulton RS. (2016). "Retention time of chlorophacinone in black-tailed prairie dogs informs secondary hazards from a prairie dog rodenticide bait.". Pest management science. https://doi.org/10.1002/ps.4045 →
  5. db:pubmed Hsu CW, Hsieh JH, Huang R et al.. (2016). "Differential modulation of FXR activity by chlorophacinone and ivermectin analogs.". Toxicology and applied pharmacology. https://doi.org/10.1016/j.taap.2016.10.017 →
  6. db:pubmed Rattner BA, Horak KE, Lazarus RS et al.. (2015). "Toxicity reference values for chlorophacinone and their application for assessing anticoagulant rodenticide risk to raptors.". Ecotoxicology (London, England). https://doi.org/10.1007/s10646-015-1418-8 →
  7. db:pubmed Vein J, Vey D, Fourel I et al.. (2013). "Bioaccumulation of chlorophacinone in strains of rats resistant to anticoagulants.". Pest management science. https://doi.org/10.1002/ps.3367 →
  8. db:pubmed Vyas NB, Hulse CS, Rice CP. (2012). "Chlorophacinone residues in mammalian prey at a black-tailed prairie dog colony.". Environmental toxicology and chemistry. https://doi.org/10.1002/etc.1968 →
  9. db:pubmed Ouyang XK, Chen XH, Yan YQ et al.. (2009). "Characterization and determination of chlorophacinone in plasma by ion chromatography coupled with ion trap electrospray ionization mass spectrometry.". Biomedical chromatography : BMC. https://doi.org/10.1002/bmc.1148 →
  10. db:pubmed Sarabia J, Sánchez-Barbudo I, Siqueira W et al.. (2008). "Lesions associated with the plexus venosus subcutaneus collaris of pigeons with chlorophacinone toxicosis.". Avian diseases. https://doi.org/10.1637/8251-020508-Case.1 →
  11. db:pubmed Papin F, Clarot F, Vicomte C et al.. (2007). "Lethal paradoxical cerebral vein thrombosis due to suspicious anticoagulant rodenticide intoxication with chlorophacinone.". Forensic science international. https://doi.org/10.1016/j.forsciint.2006.04.003 →
  12. db:crossref (2004). "Chlorophacinone 3691‐35‐8". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp06011 →
  13. db:pubmed Radvanyi A, Weaver P, Massari C et al.. (1988). "Effects of chlorophacinone on captive kestrels.". Bulletin of environmental contamination and toxicology. https://doi.org/10.1007/BF01688891 →
  14. db:pubmed Vogel JJ, de Moerloose P, Bouvier CA et al.. (1988). "[Prolonged anticoagulation following chlorophacinone poisoning].". Schweizerische medizinische Wochenschrift.
Regulatory status of the substance
This substance is subject to regulatory requirements: hazardous waste management (BDO — national rule, Poland). Details in the \"Regulatory Status (REACH/ECHA/CLP)\" section and on the SDS. Regulatory information — does not restrict purchase in this store.
🧮 Stoichiometry Calculator
🧪 Chemical Data
CAS Number
3691-35-8
Molecular formula
C23H15ClO3
Molar mass
374.8 g/mol
IUPAC name (EN)
2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O
InChIKey
UDHXJZHVNHGCEC-UHFFFAOYSA-N
📡 Data sources

The data in this widget comes from the following verified scientific sources:

  • PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
  • ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
  • NIST WebBook — National Institute of Standards and Technology, USA

Data is cached locally for speed — the widget also works offline.

⚗️ Physicochemical properties
Temp. topnienia
145
Density
0.905

Source: PubChem, NIST WebBook. Last updated: 2026-08-25

🔍 External identifiers
13 of 16 ID systems81%
DatabaseIdentifierActions
CAS Registry Number3691-35-8Open →
PubChem CID19402[1]Open →
InChIKeyUDHXJZHVNHGCEC-UHFFFAOYSA-N[1]Open →
InChIInChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(…[1]
SMILESC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC…[1]
EC Number223-003-0[2]Open →
ChEMBLCHEMBL1874081[3]Open →
KEGG CompoundC18514Open →
HMDBHMDB0250120Open →
ChemSpider18286[4]Open →
MeSH UID (NLM)C004662Open →
UNII (FDA)34Y6E0063YOpen →
WikiData QIDQ413488Open →

Sources: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📚 Scientific references (Chicago Author-Date) (4 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ applies to: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ applies to: ChEMBL
  4. ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ applies to: ChemSpider

Further reading

Publications thematically related to this CAS. They are not the source of any value shown on this card.

Extended Bibliography (4)

  1. ★★★★★ CANONICAL_PAPERS 💰 Paywall (probable) ✓ verified Papin F; Clarot F; Vicomte C et al.. 2007. "Lethal paradoxical cerebral vein thrombosis due to suspicious anticoagulant rodenticide intoxication with chlorophacinone." Forensic science international. link [accessed: 2026-10-11]
  2. ★★★★☆ CANONICAL_PAPERS 💰 Paywall (probable) ✓ verified Hsu CW; Hsieh JH; Huang R et al.. 2016. "Differential modulation of FXR activity by chlorophacinone and ivermectin analogs." Toxicology and applied pharmacology. link [accessed: 2026-10-11]
  3. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. 2007. "Chlorophacinone." Hawley's Condensed Chemical Dictionary: 285-285. https://doi.org/10.1002/9780470114735.hawley03585. link [accessed: 2026-08-25]
  4. ★☆☆☆☆ CANONICAL_PAPERS ❓ ? ✓ verified Ouyang XK; Chen XH; Yan YQ et al.. 2009. "Characterization and determination of chlorophacinone in plasma by ion chromatography coupled with ion trap electrospray ionization mass spectrometry." Biomedical chromatography : BMC. link [accessed: 2026-10-11]
📡 Spectroscopy — CAS 3691-35-8
📊 Spectroscopic spectra databases — inline data 9 sources

Spectra are fetched on demand from 9 sources. Each spectrum is stored in our database — the next time it is opened there are zero requests to the external API. Download JCAMP-DX / CSV / PNG for every spectrum without searching.

IR IR (Infrared) — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
MS (NIST) Mass Spectrum (EI) — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Standard Reference Database 1A
UV-Vis UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
¹H NMR NMR (¹H, ¹³C) — NMRShiftDB
nmrshiftdb2 Database License
https://nmrshiftdb.nmr.uni-koeln.de/nmrshiftdbhtml/nmrshiftdb2datalicense.txt
Type of data: Predicted (calculated by nmrshiftdb2, not measured) — inferred: the source file carries no deposited measurement
Basis: the file returned by the NMRShiftDB search-or-predict service is a JCAMP-DX LINK block with spectrometer frequency 0, and its values match no deposited NMRShiftDB spectrum of this compound on record at MolGod.
▶ Click to load spectrum
🔗 Source
About the downloads (Type of data: Predicted (calculated by nmrshiftdb2, not measured) — inferred: the source file carries no deposited measurement)
JCAMP: the NMRShiftDB file as received (JCAMP-DX 5.01 text). It is a peak list: chemical shift in ppm. MolGod adds header lines stating the type of data; the values are unchanged.
CSV: the same peak list in two columns. The second column repeats the shift value; it is not a signal intensity. Lines starting with # state the type of data.
PNG: a picture of the plot above, with the type of data written on it.
Use: where signals are expected or were reported (chemical shift positions). Not included or guaranteed: intensities, multiplicities, coupling constants, line shapes, and solvent or temperature unless stated. A predicted list is not a measurement and cannot serve as a reference spectrum for identity or purity testing. Downloads become active after Show.
— points
📚 Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16 DOI: 10.1021/ci025588g
MS (MoNA) MoNA — MassBank of North America
CC-BY 4.0
▶ Click to load spectrum
🔗 Source
— points
📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777
IR/NMR/MS (SDBS) SDBS — Spectral Database for Organic Compounds (Japan AIST)
Free for non-commercial

Reference source — no public API. Open in an external database:

🔗 IR/NMR/MS (SDBS) →
📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)
JP Monograph Japanese Pharmacopoeia — Monographs
Reference only

Reference source — no public API. Open in an external database:

🔗 JP Monograph →
📚 Japanese Pharmacopoeia 18th Edition (2021)
WHO INN WHO — International Nonproprietary Names
WHO Model Lists (free)

Reference source — no public API. Open in an external database:

🔗 WHO INN →
📚 WHO INN Programme
DOAJ DOAJ — Directory of Open Access Journals
OA journal index (mixed)

Reference source — no public API. Open in an external database:

🔗 DOAJ →
📚 DOAJ — doaj.org
🔬 Interactive spectra (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

Data retrieved live from multiple sources (priority chain). JCAMP-DX / CSV / PNG available for download under each spectrum. ⓘ Single source ★★☆☆☆

IR — Fourier-transform infrared

Loading IR — Fourier-transform infrared…

MS — Mass spectrometry (EI 70eV)

Loading MS — Mass spectrometry (EI 70eV)…

Structural properties

Loading structural data...

❓ Frequently asked questions (3)
What is Chlorophacinone?
Chlorophacinone (CAS 3691-35-8) is a chemical compound with the molecular formula C23H15ClO3 and a molecular weight of 374.8 g/mol.
Helpful?
What is the CAS number of Chlorophacinone?
The CAS number for Chlorophacinone is 3691-35-8.
Helpful?
What is the chemical formula of Chlorophacinone?
The molecular formula of Chlorophacinone is C23H15ClO3.
Helpful?
➕ Suggest a question
Download structure files

Molecular structure files from the PubChem database (NIH). Compatible with Avogadro, PyMOL, Jmol, and ChemDraw.

Source: PubChem, National Library of Medicine (NIH). CID: 19402

🔄 Concentration unit converter LIVE

Enter the Chlorophacinone concentration in any unit — the rest will be calculated automatically.

MW: 374.8 g/mol · IUPAC Gold Book ↗

⚗️ Conversion formulas + citations (per formula)
ConversionFormulaAccuracySource
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)c = n/V = (m/MW)/V±0.1% (depends on MW precision)IUPAC (2019)
parts per million (mg/L) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1±0.2%Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarityc (mol/L) = (g/L) / MW±0.1% (depends on MW precision)Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 Bibliography (8 authoritative sources)
  1. Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
    → Primary SI standard for US scientific usage
  2. Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
    → Canonical IUPAC guide for chemistry quantities/units
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
    → General rules for physical quantities and units
  5. ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗
    → Concentration / molality / amount-of-substance conventions
  6. Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
    → Avogadro, gas constant, molar volume (2019 SI revision)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
    → Historical predecessor of IUPAC Green Book
Similar molecular structures

Loading similar structures...

🧪 Solution Preparation Wizard WIZARD
① Select concentration
② Target volume
③ Solvent

Calculations per: IUPAC Gold Book ↗, Merck ↗

Computational chemistry

Loading computational data...

🛡️ Safety — CAS 3691-35-8
Data limitations notice. The safety information on this page is for reference only and does not replace a full safety data sheet (SDS). Before using the product, consult the manufacturer's current safety data sheet and the GHS/CLP guidance. The CLP classification applies to the pure bulk substance, not to commercial formulations.

GHS/CLP classification — Regulation (EC) No 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Danger
GHS06 — Toxic
GHS06 Toxic
GHS08 — Health hazard
GHS08 Health hazard
GHS09 — Environmental hazard
GHS09 Environmental hazard

🚨 Hazard statements (H)

  • H360D — May damage the unborn child
  • H330 — Fatal if inhaled
  • H310 — Fatal in contact with skin
  • H300 — Fatal if swallowed
  • H372 — Causes damage to organs through prolonged or repeated exposure
  • H400 — Very toxic to aquatic life
  • H410 — Very toxic to aquatic life with long lasting effects

🛡 Precautionary statements (P)

  • P203 — Obtain, read and follow all safety instructions before use
  • P262 — Do not get in eyes, on skin, or on clothing

✓ Harmonised classification pursuant to Annex VI of the CLP Regulation (EC) 1272/2008 (official, binding classification). Index number: 606-014-00-9.

Reference (Chicago): European Chemicals Agency. "chlorophacinone (ISO); 2-[(4-chlorophenyl)(phenyl)acetyl]-1H-indene-1,3(2H)-dione, Index No. 606-014-00-9." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Translations: CLP Regulation (EC) 1272/2008, Annexes III and IV. Data: PubChem/NLM.

📚 Consolidated scientific references — Chicago Author-Date 10 sources

References collected from all Safety Hub tabs. CAS: 3691-35-8 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Regulation (EC) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Regulations
  2. United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
  3. Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. First aid, Toxicology
  4. National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] First aid, PPE, Toxicology
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Disposal, Regulations
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Storage
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Storage
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. National rules — Poland [↗] Disposal
  10. International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toxicology

Tabs with their own references (Emergency, PPE, Storage, Waste) contain additional bibliographic entries within their respective sections.

📈 Analytical statistics (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Paste a series of replicate measurements (CSV, or one number per line). The calculator computes the mean, standard deviation and 95% CI, and detects outliers (Grubbs + Dixon Q).

Separator: comma, space, tab, new line. Minimum 3 measurements.
📐 Statistical formulas
  • x̄ = Σxᵢ / n — arithmetic mean
  • s² = Σ(xᵢ - x̄)² / (n-1) — sample variance
  • s = √s² — standard deviation
  • RSD% = (s / x̄) × 100% — relative standard deviation
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — Grubbs' test
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Source: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

🧪 Buffer Recipe Calculator UNIQUE

Choose a buffer from the list of 20 popular systems → enter the target pH → get an exact recipe with the masses to weigh out.

Step 1: Choose a buffer system

📜 Recipe history (last 10)
Pharmacological Status

Prekliniczny

Phase I
Phase II
Phase III
Approved

Preclinical — no human study data.

ChEMBL CHEMBL1874081 ↗

📅 Project Planner — Lab Experiment Manager NEW

Plan your entire laboratory project: add experiments with reagents, replicates, and duration. You'll get a Gantt chart, a shopping list (with links to the store!), a budget with a 10% margin, and a GHS risk matrix.

🧪 Solubility and solvent compatibility
Molecule
Chlorophacinone
Formula
C23H15ClO3
logP (XLogP3)
4.30
Mass (g/mol)
374.8
Polarity
Hydrophobic (non-polar)

⚠️ GC estimate (Hoftyzer–Van Krevelen). No literature HSP data for this CAS — precision ±2 MPa½. Verify experimentally.

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 8..

Solvent Compat. Ra Visual GC-MS HPLC Applications References
Water (H₂O)0.1 g/L (measured)—
✗ NoA (aqueous) (RP)
buffercell cultureanalyticalextraction (hydrophilic)
Ethanol (EtOH)——no basis✗ NoA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)——no basis✗ NoA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm
Acetone——no basis✗ NoB modifier (NP)
GC headspacecrystallisationdegreasingsynthesis
Acetonitrile (ACN)——no basis✗ NoB (RP) (RP)
HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis
DMSO——no basis✗ NoN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THF——no basis✗ NoB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallics
DCM (CH₂Cl₂)——no basis✓ YesB (NP) (NP)
extractionNP-HPLCGC-MScrystallisation (anti-solvent)
Chloroform (CHCl₃)——no basis✓ YesN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexane——no basis✓ YesA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluene——no basis✓ YesB (NP) (NP)
NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)
📚 Scientific references for solvents (Chicago Author-Date) — click to expand

11 solvents · 54 full citations (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — below.

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — peripheral neuropathy (n-hexane is NOT an IARC carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Solubility theory (applied in compatibility prediction):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + Ra formula.
  3. Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solvatochromism.
  5. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  6. Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution for dD/dP/dH from SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Complete tabular set of 250+ solvents (ε, μ, donicity, acceptor numbers).
  8. PubChem Compound Database — CAS 3691-35-8 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Check reaction compatibility
4 0 0
Health: 4/4
Flammability: 0/4
Reactivity: 0/4
Per NFPA 704 / calculated from H-codes

Check whether Chlorophacinone is compatible with another reagent

📦 Storage compatibility matrix
Acids Bases Oxidizers Flammable Toxic Gazy
Acids ✓ ✗ ✗ ✗ ⚠ ✗
Bases ✗ ✓ ⚠ ⚠ ⚠ ⚠
Oxidizers ✗ ⚠ ✓ ✗ ⚠ ✗
Flammable ✗ ⚠ ✗ ✓ ⚠ ✗
Toxic ⚠ ⚠ ⚠ ⚠ ✓ ⚠
Gazy ✗ ⚠ ✗ ✗ ⚠ ✓
✓ Can be stored together · ⚠ Caution · ✗ Do NOT store together · OSHA Chemical Segregation ↗

Compatibility data from: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Laboratory calculators (8)
Dilution (C₁V₁=C₂V₂)
Molarity (M=n/V)
pH Buffer (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Mass → Moles
Concentration % → M
ppm → mg/L
Temperature C↔F↔K

Verified formulas: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopic Databases
📋 Laboratory protocol generator

Protocol generated based on: GHS SDS, Aldrich Lab Guide ↗

🏷️ Label generator (QR)
Chlorophacinone• Liphadione / Chlorphacinon• IUPAC: 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione• CAS: 3691-35-8• EC: 223-003-0• Formula: C23H15ClO3• Mass: 374.8 g/molDANGERGHS HAZARD STATEMENTS:H360D H330 H310 H300 H372 H400 H410P203: Obtain, read and follow all safety instructions before useP262: Do not get in eyes, on skin, or on clothingFOR LABORATORY USE ONLY!Nonsensia Ltd124-128 City Road, EC1V 2NX London[email protected]molgod.orgBatch No.: Net Mass:
Lipinski descriptors (structure)

Drug-likeness radar chart (Lipinski Ro5 / Veber). Green zone = compliance with criteria.

Predictive data — properties calculated in silico (SMILES/RDKit). These do not replace clinical studies. Do not use for drug evaluation without experimental verification.

MW374.8LogP4.3HBD0HBA3RotB4TPSA51.2 Ų
✓ Lipinski Ro5✓ Veber✓ Egan✓ Ghose✓ REOS✗ Lead-like Ro3 (MW=375, LogP=4.3, RotB=4)
PropertyValueRating
Absorption (GI)high✓
BBB permeabilityno
Bioavailability (Daina 2017)
55%
CYP450 profileCYP1A2 inhibitorCYP2C9 inhibitorCYP2C19 inhibitorCYP2D6 inhibitorCYP3A4 inhibitor
PAINS alerts0✓
Brenk alerts0✓
pKa (pH 7.4)3.4 (experimental)
hERG (cardiotox.)✓ no
P-gp substrate—
Ames mutagenicity✓ no
DILI (hepatotox.)—
LogS (aq. solub.)—
Sources (ADMET methodology)
  1. Lipinski, Christopher A., Franco Lombardo, Beryl W. Dominy, and Paul J. Feeney. 1997. "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings." Advanced Drug Delivery Reviews 23 (1-3): 3-25.
  2. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, et al. 2002. "Molecular properties that influence the oral bioavailability of drug candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  3. Daina, Antoine, Olivier Michielin, and Vincent Zoete. 2017. "SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness." Scientific Reports 7: 42717.
  4. Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
  5. Baell, Jonathan B., and Georgina A. Holloway. 2010. "New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries." Journal of Medicinal Chemistry 53 (7): 2719-2740.
  6. Brenk, Ruth, Alessandro Schipani, Daniel James, et al. 2008. "Lessons learnt from assembling screening libraries for drug discovery for neglected diseases." ChemMedChem 3 (3): 435-444.
  7. Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions." Journal of Cheminformatics 1: 8.
  8. Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
  9. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  10. Ghose, Arup K., Vellarkad N. Viswanadhan, and John J. Wendoloski. 1999. "A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery." Journal of Combinatorial Chemistry 1 (1): 55-68.
  11. Tice, Raymond R., Christopher P. Austin, Robert J. Kavlock, and John R. Bucher. 2013. "Improving the Human Hazard Characterization of Chemicals: A Tox21 Update." Environmental Health Perspectives 121 (7): 756-765.
  12. Leeson, Paul D., and Brian Springthorpe. 2007. "The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry." Nature Reviews Drug Discovery 6 (11): 881-890.
  13. Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
  14. Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
  15. Walters, W. Patrick, and Mark A. Murcko. 2002. "Prediction of 'Drug-Likeness.'". Advanced Drug Delivery Reviews 54 (3): 255–271. https://doi.org/10.1016/S0169-409X(02)00003-0.
  16. Congreve, Miles, Robin Carr, Christopher Murray, and Harren Jhoti. 2003. "A 'Rule of Three' for Fragment-Based Lead Discovery?" Drug Discovery Today 8 (19): 876–877. https://doi.org/10.1016/S1359-6446(03)02831-9.
  17. Brenk, Ruth, Alessandro Schipani, Daniel James, Agata Krasowski, Iain Hugh Gilbert, Julie Frearson, and Paul Graham Wyatt. 2008. "Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases." ChemMedChem 3 (3): 435-444.
  18. Schomburg, Karen T., Sascha Bietz, Hans Briem, Andrea M. Henzler, Stefan Urbaczek, and Matthias Rarey. 2014. "Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening." Journal of Chemical Information and Modeling 54 (6): 1676-1686.
  19. Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
  20. Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
  21. Radke SL, Schrunk DE, Ruane A et al.. (2022). "Acute hemorrhage and death in calves following chlorophacinone exposure.". Journal of veterinary diagnostic investigation : official publication of the American Association of Veterinary Laboratory Diagnosticians, Inc. https://doi.org/10.1177/10406387211069369
  22. Moriceau MA, Lefebvre S, Fourel I et al.. (2020). "Accidental chlorophacinone exposure of lactating ewes: Clinical follow-up and human health dietary implications.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2020.111518
  23. Alomar H, Chabert A, Coeurdassier M et al.. (2018). "Accumulation of anticoagulant rodenticides (chlorophacinone, bromadiolone and brodifacoum) in a non-target invertebrate, the slug, Deroceras reticulatum.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2017.08.117
  24. Witmer GW, Snow NP, Moulton RS. (2016). "Retention time of chlorophacinone in black-tailed prairie dogs informs secondary hazards from a prairie dog rodenticide bait.". Pest management science. https://doi.org/10.1002/ps.4045
  25. Hsu CW, Hsieh JH, Huang R et al.. (2016). "Differential modulation of FXR activity by chlorophacinone and ivermectin analogs.". Toxicology and applied pharmacology. https://doi.org/10.1016/j.taap.2016.10.017
  26. Rattner BA, Horak KE, Lazarus RS et al.. (2015). "Toxicity reference values for chlorophacinone and their application for assessing anticoagulant rodenticide risk to raptors.". Ecotoxicology (London, England). https://doi.org/10.1007/s10646-015-1418-8
  27. Vein J, Vey D, Fourel I et al.. (2013). "Bioaccumulation of chlorophacinone in strains of rats resistant to anticoagulants.". Pest management science. https://doi.org/10.1002/ps.3367
  28. Vyas NB, Hulse CS, Rice CP. (2012). "Chlorophacinone residues in mammalian prey at a black-tailed prairie dog colony.". Environmental toxicology and chemistry. https://doi.org/10.1002/etc.1968
  29. Ouyang XK, Chen XH, Yan YQ et al.. (2009). "Characterization and determination of chlorophacinone in plasma by ion chromatography coupled with ion trap electrospray ionization mass spectrometry.". Biomedical chromatography : BMC. https://doi.org/10.1002/bmc.1148
  30. Sarabia J, Sánchez-Barbudo I, Siqueira W et al.. (2008). "Lesions associated with the plexus venosus subcutaneus collaris of pigeons with chlorophacinone toxicosis.". Avian diseases. https://doi.org/10.1637/8251-020508-Case.1
  31. Papin F, Clarot F, Vicomte C et al.. (2007). "Lethal paradoxical cerebral vein thrombosis due to suspicious anticoagulant rodenticide intoxication with chlorophacinone.". Forensic science international. https://doi.org/10.1016/j.forsciint.2006.04.003
  32. (2004). "Chlorophacinone 3691‐35‐8". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp06011
  33. Radvanyi A, Weaver P, Massari C et al.. (1988). "Effects of chlorophacinone on captive kestrels.". Bulletin of environmental contamination and toxicology. https://doi.org/10.1007/BF01688891
  34. Vogel JJ, de Moerloose P, Bouvier CA et al.. (1988). "[Prolonged anticoagulation following chlorophacinone poisoning].". Schweizerische medizinische Wochenschrift.
  35. Anonymous. 2007. "Chlorophacinone." Hawley's Condensed Chemical Dictionary: 285-285. https://doi.org/10.1002/9780470114735.hawley03585. [DOI ↗]
  36. Bolton, Evan E., Yanli Wang, Paul A. Thiessen, and Stephen H. Bryant. 2008. "PubChem: Integrated Platform of Small Molecules and Biological Activities." Annual Reports in Computational Chemistry 4: 217-241. [DOI ↗]
  37. Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
  38. Kim, Sunghwan, Tiejun Cheng, Jianyong He, Chen Cheng, et al. 2021. "PubChem Protein, Pathway, Reaction, and Disease Specifications." Journal of Cheminformatics 13: 16. [DOI ↗]
  39. Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
  40. Wang, Yanli, Stephen H. Bryant, Tiejun Cheng, Jiyao Wang, et al. 2017. "PubChem BioAssay: 2017 update." Nucleic Acids Research 45 (D1): D955-D963. [DOI ↗]
  41. Cheng, Tiejun, et al. 2014. "Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge." Journal of Chemical Information and Modeling 54 (3): 793-805. [DOI ↗]
  42. Wilkinson, Mark D., et al. 2016. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific Data 3: 160018. [DOI ↗]
  43. Hersey, Anne, et al. 2015. "Chemical databases: curation or integration by user-defined equivalence?" Drug Discovery Today: Technologies 14: 17-24.
  44. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. 2002. "Molecular Properties That Influence the Oral Bioavailability of Drug Candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  45. ECHA. 2024. "REACH Guidance." European Chemicals Agency. ↗
  46. Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B 72 (2): 171-179. ↗
🧪 Solution preparation assistant (Smart Prep)

Enter what you want to prepare — I'll generate an SOP

Examples below — click to insert:
Preset recipes:
📚 Scientific literature overview — CAS 3691-35-8
⭐ Key findings (scientific literature) 14 publications
🏆 CAS 3691-35-8 — multi-criteria ranking (W12): 30% citations · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Hsu CW; Hsieh JH; Huang R et al. (2016) · Toxicology and applied pharmacology
    Why it matters: Must-cite (canon)
    SCORE 4.66 Mechanism MUST-CITE Citations: 8 DOI ↗
  2. #2
    Radke SL, Schrunk DE, Ruane A et al. (2022) · Journal of veterinary diagnostic investigation : official publication of the American Association of Veterinary Laboratory Diagnosticians, Inc
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 3.6 Mechanism DOI ↗ PubMed ↗
  3. #3
    Moriceau MA, Lefebvre S, Fourel I et al. (2020) · Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 3 Pharmacology DOI ↗ PubMed ↗
  4. #4
    Ouyang XK; Chen XH; Yan YQ et al. (2009) · Biomedical chromatography : BMC
    Why it matters: Must-cite (canon)
    SCORE 2.4 Analytics MUST-CITE DOI ↗
  5. #5
    Alomar H, Chabert A, Coeurdassier M et al. (2018) · The Science of the total environment
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 2.4 Mechanism DOI ↗ PubMed ↗
  6. #6
    Witmer GW, Snow NP, Moulton RS (2016) · Pest management science
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 1.8 Mechanism DOI ↗ PubMed ↗
  7. #7
    Rattner BA, Horak KE, Lazarus RS et al. (2015) · Ecotoxicology (London, England)
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 1.5 Pharmacology DOI ↗ PubMed ↗
  8. #8
    Vein J, Vey D, Fourel I et al. (2013) · Pest management science
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 0.9 Mechanism DOI ↗ PubMed ↗
  9. #9
    Vyas NB, Hulse CS, Rice CP (2012) · Environmental toxicology and chemistry
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 0.6 Mechanism DOI ↗ PubMed ↗
  10. #10
    Papin F; Clarot F; Vicomte C et al. (2007) · Forensic science international
    Why it matters: Must-cite (canon) · review
    SCORE 0 Review MUST-CITE DOI ↗
  11. #11
    Radvanyi A, Weaver P, Massari C et al. (1988) · Bulletin of environmental contamination and toxicology
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 0 Mechanism DOI ↗ PubMed ↗
  12. #12
    Vogel JJ, de Moerloose P, Bouvier CA et al. (1988) · Schweizerische medizinische Wochenschrift
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 0 Mechanism PubMed ↗
  13. #13
    Sarabia J, Sánchez-Barbudo I, Siqueira W et al. (2008) · Avian diseases
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 0 Mechanism DOI ↗ PubMed ↗
  14. #14
    (2004) · Sax's Dangerous Properties of Industrial Materials
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 0 Mechanism DOI ↗

Why this page can be checked

Identity

CAS, EC and molecular formula, resolved across the identifier systems a buyer uses. The count of systems resolved is shown, so you can see how well characterised this substance is rather than assuming.

Data

Every physicochemical value carries the source it came from and the date that source was read. Open any of them.

Classification

Read against the harmonised entry where one exists, with the index number stated. Self-classification is shown separately and labelled.

Regulatory

Inventory, restriction, authorisation and candidate-list status, each stated individually. Where a status is not established, this page says so — it never says no restrictions apply.

Documentation

Which documents exist, at what review level, in which languages, and when each was issued.

Supplier

Who is selling this, and what they have published about themselves.

Nothing on this page is a certification. It is a record you can audit.

Two guarantees, both with their limits stated

The Gap Report Guarantee

If the available evidence cannot support a defensible document for your CAS number and product specification, we will not invent the missing values. You receive a documented gap report and choose: a refund, store credit, or the report on its own.

A visible gap is worth more than a plausible number, because the plausible number is the one that fails when somebody checks it.

The Re-issue Promise

If a signed card is rejected by an authority or by a customer’s compliance officer on one of the points we checked and reported as passed, we re-issue it corrected at no charge and credit the original fee.

This covers the checks we performed and named. It does not cover registration status, tonnage, or your role in the supply chain — those are not ours to hold, and a guarantee that pretended otherwise would be worth nothing.

This page describes the regulatory documentation issued for chlorophacinone (ISO) (CAS 3691-35-8). The item supplied is a document, not the substance.

chlorophacinone (CAS 3691-35-8) at a glance

  • Substance – chlorophacinone
  • CAS number – 3691-35-8
  • EC number – 223-003-0
  • CLP Annex VI index number – 606-014-00-9
  • Also known as – 2-[(4-chlorophenyl)(phenyl)acetyl]-1H-indene-1,3(2H)-dione
  • Hazard statements – H360D (may damage the unborn child); H330 (fatal if inhaled); H310 (fatal in contact with skin); H300 (fatal if swallowed); H372 (blood) (causes damage to organs through prolonged or repeated exposure); H400 (very toxic to aquatic life)
  • Hazard classes – Repr. 1B, Acute Tox. 1, Acute Tox. 1, Acute Tox. 1, STOT RE 1, Aquatic Acute 1
  • Label pictograms – GHS06, GHS08, GHS09
  • Signal word – Danger
  • Concentration limits / M-factor / ATE – Repr. 1B;H360D: C ≥ 0.003%;STOT RE 1;H372: C ≥ 0.1%;STOT RE 2;H373: 0.01% ≤ C < 0.1%;M = 1;M = 1
  • Entry current as of – ATP09
  • CMR classification – yes, classified as carcinogenic, mutagenic or toxic for reproduction
  • Documentation issued – safety data sheet in REACH Annex II structure; working draft or signed card
  • What is supplied – a document. MolGod.org does not sell, supply or ship chemical substances.

Where is regulatory status recorded for chlorophacinone (ISO)?

Section 15 documents the regulatory status for chlorophacinone, detailing its inclusion on candidate lists, whether it is subject to authorisation or restriction, along with any applicable national regulations. This information is frequently requested by downstream users; providing a concise summary in a single document eliminates repetitive email exchanges with each customer.

Other names for this substance

The same substance appears in trade and in the literature under several names: 2-[(4-chlorophenyl)(phenyl)acetyl]-1H-indene-1,3(2H)-dione. A safety data sheet has to carry the name used in the harmonised entry, but a purchase order, a customs declaration and a certificate of analysis may each use a different one. Where the names diverge, CAS 3691-35-8 is the identifier that reconciles them — and a document set that relies on trade names alone will eventually be read as describing three different materials.

What Annex VI notes and concentration limits apply to chlorophacinone (ISO)?

The register also records Repr. 1B;H360D: C ≥ 0.003%;STOT RE 1;H372: C ≥ 0.1%;STOT RE 2;H373: 0.01% ≤ C < 0.1%;M = 1;M = 1 for this entry. Specific concentration limits, M-factors and acute toxicity estimates override the generic cut-off values, so a mixture calculation that ignores them will classify the mixture wrongly in both directions.

Is chlorophacinone (ISO) classified as a CMR substance?

CAS 3691-35-8 is classified as a CMR substance (H360D). That status changes the obligations attached to every shipment: workplace exposure documentation, restrictions on supply to the general public, and substitution pressure from downstream users who must justify continued use. A safety data sheet for a CMR substance is read more closely than any other, because the classification itself invites scrutiny.

How is chlorophacinone (ISO) classified for road, sea and air transport?

Carriers and forwarders handling chlorophacinone must review section 14 in relation to the shipping documents prior to loading. If there are discrepancies, the shipment should be halted at the location where rectification would incur the highest cost.

Accidental release and containment

Section 6 addresses the accidental release of chlorophacinone, outlining personal precautions, environmental precautions, and containment methods. When the classification indicates an aquatic hazard, the environmental precautions section transitions from a mere formality to a critical instruction that must be rigorously followed.

In which language must the SDS for chlorophacinone (ISO) be supplied?

A safety data sheet must be supplied in an official language of every Member State where chlorophacinone (ISO) is placed on the market, unless that State has stated otherwise. This is the requirement most often missed by importers who hold a technically correct English document and assume it travels. A sheet in the wrong language is a refusal ground on its own, independent of the accuracy of its content.

What concentration limits apply to chlorophacinone (ISO)?

The harmonised entry for chlorophacinone carries specific concentration limits: H360D: C ≥ 0,003 %; H372 (blood): C ≥ 0,1 %; H373 (blood): 0,01 % ≤ C < 0,1 %. These override the generic cut-off values, so a mixture containing chlorophacinone is classified against these figures and not against the default thresholds. M-factor on record: 1. The M-factor multiplies the contribution of this substance in the aquatic hazard calculation for a mixture, which is where it is most often overlooked.

Which GHS pictograms apply to chlorophacinone (ISO)?

The label for chlorophacinone carries GHS06 (skull and crossbones), GHS08 (health hazard), GHS09 (environment), with the signal word Danger. These are not chosen by the supplier: CLP Annex VI states them for CAS 3691-35-8, and the precedence rules in Annex I decide which pictogram is dropped when two would say the same thing. A label showing a different set from the register is wrong even if every hazard statement on it is correct.

Who is responsible for REACH compliance for chlorophacinone (ISO)?

The responsibility for documentation accompanying chlorophacinone (ISO) lies with the entity introducing it into the Union market, rather than with any external supplier. Importers bear the same obligations as manufacturers, including designating an identifiable EU contact in section 1. A non-EU supplier may appoint a sole representative, but this appointment must be established prior to the movement of goods, not in response to subsequent inquiries.

What must the label for chlorophacinone (ISO) contain?

The supply label for chlorophacinone (ISO) is generated from the same classification that drives the safety data sheet: pictograms selected by precedence, one signal word derived from the highest hazard class present, and the hazard statements H360D, H330, H310… reproduced in full. Where the container is too small to carry the complete set at a legible size, there are lawful ways to handle it and unlawful ones that look identical to a non-specialist.

What is the EC number for chlorophacinone (ISO)?

Alongside CAS 3691-35-8, this substance carries EC number 223-003-0 and Annex VI index 606-014-00-9. European documentation is built around the EC number as often as around the CAS: registration dossiers, the candidate list and customs systems key on it. A safety data sheet quoting only one of the two forces every downstream reader to look up the other.

Can I import chlorophacinone (ISO) into the EU?

Bringing chlorophacinone (ISO) into the Union is a documentation exercise before it is a logistics one. The file has to exist at the moment of import, not at the moment somebody asks for it, and for ketones it is examined in the context of solvent shipments. Index 606-014-00-9 fixes the classification that section 2 must reproduce.

Identifiers that must agree

Identity verification must be conducted prior to hazard assessment. If discrepancies exist between the label, safety data sheet, and certificate regarding the CAS 3691-35-8 number or if the index 606-014-00-9 refers to a location where the name does not match, a reviewer will lose trust in all three documents simultaneously, despite their internal consistency. This is because inconsistencies among these key documentation elements undermine their reliability as a unified source of information.

What is the CLP classification of chlorophacinone (ISO)?

The harmonised classification for CAS 3691-35-8 carries 7 hazard statements: H360D, H330, H310, H300, H372 (blood), H400, H410. In plain terms this means may damage the unborn child; fatal if inhaled; fatal in contact with skin; fatal if swallowed. A harmonised entry is binding across the Union — an importer may not soften it, and a self-classification that diverges from it will not survive an enforcement check.

Questions about documentation for chlorophacinone

Do I need a safety data sheet to import chlorophacinone into the EU?

Yes. A sheet compiled to Annex II of REACH must exist before the first consignment moves, and it must be held by the entity placing the substance on the Union market.

What is the CAS number of chlorophacinone?

CAS 3691-35-8. In CLP Annex VI the same substance carries index number 606-014-00-9, and both identifiers should appear in the documentation.

Is chlorophacinone a CMR substance?

Yes. The harmonised classification places it among substances classified as carcinogenic, mutagenic or toxic for reproduction, which changes workplace documentation and supply restrictions.

What hazard statements apply to CAS 3691-35-8?

The harmonised entry lists H360D, H330, H310, H300. These are binding across the Union and may not be softened by a self-classification.

MolGod.org issues documentation and does not sell, supply or ship chemical substances. CAS 3691-35-8 identifies the subject of this document.

Which version do you need?

SDS Working Draft

€49.99

  • Delivered automatically after payment, by e-mail
  • Full 16-section REACH Annex II structure
  • Classification against ECHA CLP Annex VI
  • Public-source data with references
  • Unresolved gaps flagged, never filled by guesswork
  • For internal drafting and supplier review. Unsigned; supplier-specific fields may need completing.

Best for

  • Seeing what the document will contain before you commit
  • Comparing what a supplier sent you against the register
  • Finding the gaps in a sheet you already hold
  • Preparing an internal file before an export decision
  • Substances you handle but do not yet sell
Recommended when the document leaves your company

Expert-Reviewed SDS

€249.99

  • Everything in the Working Draft
  • Reviewed by a competent person under Annex II, section by section
  • Adapted to your company, product grade and identified use
  • Destination market and language checked
  • Transport section reviewed for the mode you request
  • Five rounds of corrections applied to your instructions
  • Within 72 hours of receiving complete input.

Best for

  • Any document that leaves your company
  • A customer or distributor who asked for the sheet
  • Paperwork travelling with an export shipment
  • A sheet an inspector or authority may read
  • Replacing a sheet a customer has already rejected
If you are unsure, read down the left column and stop at the first line that describes your situation.
What the document is for Working Draft
€49.99
Expert-Reviewed
€249.99
Internal drafting and review YesYes
Checking a sheet a supplier sent you YesYes
Sent to your customer Not written for thisYes
Travels with an export shipment Not written for thisYes
Read by an inspector or authority Not written for thisYes
Adapted to your company, grade and identified use NoYes
Signed and dated by the reviewer NoYes
When you get it Immediately after paymentWithin 72 hours of complete input

Nothing stops you sending a draft to anyone. "Not written for this" means exactly that: it carries no signature and no fields adapted to your company, so it will not answer the questions the recipient is about to ask.

What the signature means

Who prepares the document
The document is generated by the MolGod engine from ECHA CLP Annex VI and the cited public sources, then read section by section by a qualified scientific reviewer with a degree in chemistry or a related scientific field.
What the review covers
The sheet is read section by section against the REACH Annex II structure. GHS classification and transport entries are checked against the sources cited in the document, and the sheet is adapted to the company, product grade and identified use you provide.
What is NOT verified
We do not test your material and we cannot confirm what is physically in your container: composition, concentration, impurities or manufacturing route. Those come from you and are reproduced as supplied.
What the signature is — and is not
The signature records that a qualified scientific reviewer read the document. It is not a government approval, not an ECHA approval, and not a legal certification — no such certification exists for safety data sheets in the EU. A signature does not by itself make a document legally valid or make your business compliant.
What you receive
A PDF in the 16-section REACH Annex II structure, signed and dated, with version information and a list of anything we could not establish. Five rounds of corrections are included.
Delivery
Within 72 hours of receiving complete input from you. The clock pauses whenever we are waiting on an answer.
Refunds
Full refund before review begins. If the evidence is insufficient, you choose a refund, store credit or a gap report. See the refund policy.

No fabricated-data guarantee. If the available evidence is insufficient to support a defensible document for this CAS number and your product specification, we will not invent the missing values. You may choose a refund, store credit or a documented gap report.

Not sure which one fits? Ask for a free screening of a sheet you already hold.

📄 Certificates of Analysis (CoA) CAS 3691-35-8 none

No certificates for this product in the database.

📚 Scientific references (Chicago Author-Date) — click to expand

Batch management and laboratory certification standards — 13 independent sources (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).

  1. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [link ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
  2. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [link ↗] — Lab accreditation standard underpinning every CoA
  3. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [link ↗] — WHO TRS No. 957 — global reference for GMP
  4. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [link ↗] — Source for batch shelf-life and retest dating
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [link ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [link ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [link ↗]
  8. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [link ↗] — US legal mandate (Subpart J — Records and Reports)
  9. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [link ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [link ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [link ↗]
  12. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [link ↗] — Cross-recognized GMP for 54 inspectorates worldwide
  13. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [link ↗] — Excipient-grade CoA standard for non-API ingredients
Data from PubChemSource: PubChem (NIH) · ChEMBL
📤 Embed this molecule on your site

Have a blog, forum or scientific service? Embed the interactive 3D molecule on your website — every reader will see it, with a link below to the safety data sheet for that substance.

🔗 HTML iframe code (easiest — works everywhere)

Copy and paste into your site's HTML editor:

Adjust width and height to your layout.

⚙ WordPress Shortcode (for other shops with MOL-GOD)

🌐 Direct link (for emails, chats, LinkedIn, Twitter)

LinkedIn Twitter/X Facebook
QR code CAS 3691-35-8

📱 QR code (for printing on flyers / labels / catalogs)

Place it in a product catalog, on a bottle label or a flyer. The customer scans it — sees the 3D molecule on their phone, with a link to your shop.

⬇ Download PNG

🖼 Open Graph image (for social media meta tags)

When you share the link, Facebook/LinkedIn/Discord will automatically fetch the image preview:

Preview
📋 License: The embed keeps a backlink to MolGod (required — the shop is the data source). Chemical data comes from PubChem (CC0 — public domain). The embed is FREE for educational, commercial and hobby use.
📚 REFERENCES (Aggregate bibliography, Chicago Author-Date) 78 items

All scientific sources cited in the accordions above for CAS 3691-35-8. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Scientific databases

  1. NIST. n.d. NIST Chemistry WebBook: CAS 3691-35-8. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=3691-35-8.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 3691-35-8. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
  4. PubChem. n.d. PubChem Compound Summary: CAS 3691-35-8. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=3691-35-8.

📐 Standards / Guidelines

  1. ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Books

  1. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
  2. Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
  3. Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
  4. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📄 Scientific articles (peer-reviewed)

  1. Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
  2. Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

🌐 Websites

  1. ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
  2. European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
  3. ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
  4. European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
  5. ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
  6. ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
  7. United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
  8. ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
  9. ECHA — Annex VI to CLP (harmonised classification, ATP 23; 2026-07-07) https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.
  10. United States Pharmacopeial Convention. 2024. "USP <621> Chromatography." In United States Pharmacopeia and National Formulary, USP 47-NF 42. Rockville, MD: USP. https://www.uspnf.com/.
  11. European Pharmacopoeia Commission. 2024. "2.2.46 Chromatographic Separation Techniques." In European Pharmacopoeia, 11th ed. Strasbourg: Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
  12. International Council for Harmonisation (ICH). 2022. "ICH Q2(R2): Validation of Analytical Procedures." International Council for Harmonisation. https://database.ich.org/sites/default/files/ICH_Q2%28R2%29_Guideline_2022_1130.pdf.
  13. International Council for Harmonisation (ICH). 1996. "ICH Q3A: Impurities in New Drug Substances." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
  14. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General Requirements for the Competence of Testing and Calibration Laboratories." Geneva: ISO. https://www.iso.org/standard/66912.html.
  15. Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
  16. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
  17. Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
  18. EURACHEM/CITAC. 2012. "Quantifying Uncertainty in Analytical Measurement." 3rd ed. EURACHEM/CITAC Guide CG 4. https://www.eurachem.org/images/stories/Guides/pdf/QUAM2012_P1.pdf.
  19. International Organization for Standardization. 1994. "ISO 5725-2:1994 Accuracy (Trueness and Precision) of Measurement Methods and Results — Part 2: Basic Method for the Determination of Repeatability and Reproducibility of a Standard Measurement Method." Geneva: ISO. https://www.iso.org/standard/11834.html.
  20. Heckert, N. A., and J. J. Filliben. 2003. "NIST/SEMATECH e-Handbook of Statistical Methods." NIST Handbook 151. Gaithersburg, MD: National Institute of Standards and Technology. https://www.itl.nist.gov/div898/handbook/.
  21. Grubbs, Frank E. 1950. "Sample Criteria for Testing Outlying Observations." Annals of Mathematical Statistics 21 (1): 27–58.
  22. Dixon, Wilfrid J. 1950. "Analysis of Extreme Values." Annals of Mathematical Statistics 21 (4): 488–506.
  23. Snedecor, George W., and William G. Cochran. 1989. Statistical Methods. 8th ed. Ames, IA: Iowa State University Press.
  24. Student [William Sealy Gosset]. 1908. "The Probable Error of a Mean." Biometrika 6 (1): 1–25.
  25. International Organization for Standardization. 2005. "ISO 3534-1:2006 Statistics — Vocabulary and Symbols — Part 1: General Statistical Terms and Terms Used in Probability." Geneva: ISO. https://www.iso.org/standard/40145.html.
  26. Thompson, Michael, Stephen L. R. Ellison, and Roger Wood. 2002. "Harmonized Guidelines for Single-Laboratory Validation of Methods of Analysis." Pure and Applied Chemistry 74 (5): 835–855.
  27. United Nations Economic Commission for Europe. 2024. European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR), Applicable as from 1 January 2025 (ECE/TRANS/352). Geneva: UNECE. https://unece.org/transport/dangerous-goods/adr-2025-edition.
  28. International Air Transport Association. 2026. Dangerous Goods Regulations (DGR). 67th ed. Montreal: IATA. https://www.iata.org/en/programs/cargo/dgr/.
  29. International Maritime Organization. 2024. International Maritime Dangerous Goods (IMDG) Code, 2024 Edition (Amendment 42-24). London: IMO. https://www.imo.org/en/OurWork/Safety/Pages/DangerousGoods-default.aspx.
  30. United Nations. 2025. Recommendations on the Transport of Dangerous Goods: Model Regulations (Orange Book). 24th revised ed. ST/SG/AC.10/1/Rev.24. New York and Geneva: United Nations. https://unece.org/transport/dangerous-goods/un-model-regulations.
  31. International Civil Aviation Organization. 2025. Technical Instructions for the Safe Transport of Dangerous Goods by Air (Doc 9284). 2025–2026 ed. Montreal: ICAO. https://www.icao.int/safety/DangerousGoods/Pages/technical-instructions.aspx.
  32. European Commission. 2014. "Commission Decision 2014/955/EU on the list of waste pursuant to Directive 2008/98/EC." Official Journal of the European Union. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32014D0955.
  33. Ministerstwo Klimatu i Środowiska Rzeczypospolitej Polskiej. 2020. "Rozporządzenie Ministra Klimatu z dnia 2 stycznia 2020 r. w sprawie katalogu odpadów." Dziennik Ustaw RP 2020 poz. 10. https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20200000010. National rules — Poland
  34. Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. "Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych." Ministerstwo Klimatu i Środowiska. https://bdo.mos.gov.pl/. National rules — Poland
  35. Polska — Sejm RP. 2012. "Ustawa z dnia 14 grudnia 2012 r. o odpadach." Dz.U. 2013 poz. 21 (z późn. zm.). https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20130000021. National rules — Poland
  36. Furr, A. Keith, ed.. 2000. "CRC Handbook of Laboratory Safety." CRC Press.
  37. Pohanish, Richard P.. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." Elsevier.
  38. Lewis, Richard J.. 2012. "Sax's Dangerous Properties of Industrial Materials." Wiley.
  39. NIOSH. 2024. "Pocket Guide to Chemical Hazards." U.S. Department of Health and Human Services. https://www.cdc.gov/niosh/npg/.
  40. OSHA. 2024. "Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER)." Occupational Safety and Health Administration. https://www.osha.gov/chemicaldata.
  41. European Parliament and Council. 2008. "Directive 2008/98/EC on waste (Waste Framework Directive)." Official Journal of the European Union L 312/3. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008L0098.
  42. European Parliament and Council. 2009. "Regulation (EC) No 1272/2008 (CLP) on classification, labelling and packaging of substances and mixtures." Official Journal of the European Union L 353. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008R1272.
  43. United Nations Economic Commission for Europe (UNECE). 2023. "European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." UNECE. https://unece.org/transport/standards/transport/dangerous-goods/adr-2025.
  44. IPCS INCHEM. 2024. "International Programme on Chemical Safety — Waste Management Guidelines." WHO/UNEP/ILO. https://www.inchem.org/.
  45. European Parliament and Council. 2006. "Regulation (EC) No 1013/2006 on Shipments of Waste." Official Journal of the European Union L 190: 1–98. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32006R1013.
  46. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. https://database.ich.org/sites/default/files/Q7%20Guideline.pdf.
  47. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. https://www.iso.org/standard/66912.html.
  48. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. https://www.who.int/publications/m/item/trs957-annex3.
  49. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  50. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
  51. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. https://database.ich.org/sites/default/files/Q6A%20Guideline.pdf.
  52. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. https://database.ich.org/sites/default/files/Q10%20Guideline.pdf.
  53. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. https://www.ecfr.gov/current/title-21/chapter-I/subchapter-C/part-211.
  54. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-process-validation-finished-products-information-data-be-provided-regulatory-submissions-revision-1_en.pdf.
  55. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. https://www.uspnf.com/.
  56. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
  57. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. https://picscheme.org/en/publications.
  58. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. https://ipecamericas.org/sites/default/files/IPECPQGGMPGuide2017.pdf.
📥 Download BibTeX📥 Download RISImport into Zotero/Mendeley/EndNote/Papers.
This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23297324) · Wikimedia Commons
Source structure: PubChem (CID 19402)
📜 License & provenance
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Chlorophacinone (CAS 3691-35-8), C23H15ClO3 - 3D ball-and-stick molecular model, engraved element symbols (C H Cl O), MolGod STL previewDownload image

MG_940-128-408-66 · engraved · 594,382 △ · 28 MB · SHA-256 5f50179a2ea8bc38

Download 3D model · ENGRAVED · C H Cl O

Chlorophacinone (CAS 3691-35-8), C23H15ClO3 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_940-128-408-66 · normal · 17,760 △ · 867 KB · SHA-256 02c5b960acf80e78

Download 3D model

Model
Chlorophacinone · 3691-35-8
InChIKey
UDHXJZHVNHGCEC-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Chlorophacinone (CAS 3691-35-8)
License & provenance record
Chlorophacinone (CAS 3691-35-8) →
MolGod molecule record
Chlorophacinone →
Source data
PubChem CID 19402 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 97d4498f28a7 · generated 2026-10-04
SHA-256 (STL)
02c5b960acf80e78d153c9fe7bd6b3253853129f61f5c05620614586434df4ff
MD5 (STL)
0b39a88c25bb7da3793bcdceea12c956
MolGod Identification Number
MG_940-128-408-66
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.