Calcium Hypochlorite — label CAS 7778-54-3
Calcium Hypochlorite — label CAS 7778-54-3

Calcium hypochlorite (CAS 7778-54-3)

Calcium hypochlorite. CAS 7778-54-3.

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
v10 · 04.11.2026

Section 9 — physicochemical properties: 5 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.

DOCUMENTATION AND 3D PRINTED MODELS ONLY

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About the language versions

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🧬 3D Molecule Visualizer
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3D model Calcium hypochlorite, CAS 7778-54-3, molecular formula CaCl₂O₂, molar mass 142.98 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 7778-54-3
📊 Physicochemical properties

Quick Reference

Formula: CaCl₂O₂
MW: 142.98 g/mol
CAS: 7778-54-3
Appearance: Powder
🔬 Advanced Properties

Chemical Identifiers

SMILES: [O-]Cl.[O-]Cl.[Ca+2]

Last updated: 2026-09-02

Chemical Overview: Calcium hypochlorite
Molecular formulaCaCl₂O₂[1]
Molecular weight142.98 g/mol[1]
IUPAC namecalcium dihypochlorite[1]
SMILES[O-]Cl.[O-]Cl.[Ca+2][1]
InChIKeyZKQDCIXGCQPQNV-UHFFFAOYSA-N[1]

Synonyms: CALCIUM HYPOCHLORITE · 7778-54-3 · Calcium hypochloride · Hypochlorous acid, calcium salt · Bleaching powder

Data sources: PubChem (NLM/NIH)
Last updated: 2026-09-03

📚 Scientific references (Chicago Author-Date) (1 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: Molecular formula · Molecular weight · IUPAC name · SMILES · InChIKey

SCIENTIFIC RESEARCH

[1]PubMed2026
Biological Advantages of Calcium Hypochlorite Solution Over Sodium Hypochlorite for Regenerative Endodontic Procedures: An Ex Vivo and In Vitro Study…
Coaguila-Llerena H, Ferraz ER, Mendes BR et al.. (2026). "Biological Advantages of Calcium Hypochlorite Solution Over Sodium Hypochlorite for Regenerative Endodontic Procedures: An Ex Vivo and In Vitr
Go to full study ↗
[2]PubMed2025
Pulp tissue dissolution capacities of two hypochlorite-based irrigants at different temperatures: an in vitro study.
Erkal D, Çakmak YE, Pistol AM et al.. (2025). "Pulp tissue dissolution capacities of two hypochlorite-based irrigants at different temperatures: an in vitro study.". BMC oral health. https://doi.org/1
Go to full study ↗
[3]PubMed2024
Calcium hypochlorite cytotoxicity mechanism in fibroblasts and effect on osteoblast mineralization.
Coaguila-Llerena H, Ochoa-Rodríguez VM, Passos Barbieri I et al.. (2024). "Calcium hypochlorite cytotoxicity mechanism in fibroblasts and effect on osteoblast mineralization.". International endodonti
Go to full study ↗
[4]PubMed2024
Antimicrobial Efficacy and Dentin Collagen Damage Caused by Calcium Hypochlorite and Sodium Hypochlorite.
Lodi E, Bello YD, Duarte KBP et al.. (2024). "Antimicrobial Efficacy and Dentin Collagen Damage Caused by Calcium Hypochlorite and Sodium Hypochlorite.". Brazilian dental journal. https://doi.org/10.1
Go to full study ↗
[5]PubMed2024
Efficacy of calcium hypochlorite in disinfection of gutta-percha cones contaminated with Candida albicans.
Pauletto G, Guerim PHF, Barbosa AB et al.. (2024). "Efficacy of calcium hypochlorite in disinfection of gutta-percha cones contaminated with Candida albicans.". Brazilian journal of microbiology : [pu
Go to full study ↗
[6]PubMed2024
Development of a new sterilization method for microalgae media using calcium hypochlorite as the sterilant.
Jeong SH, Kim W, Kwon JH. (2024). "Development of a new sterilization method for microalgae media using calcium hypochlorite as the sterilant.". Bioprocess and biosystems engineering. https://doi.org/
Go to full study ↗
[7]PubMed2023
Assessment of calcium hypochlorite for Bacillus anthracis spore surface's decontamination.
Verguet N, Mondange L, Nolent F et al.. (2023). "Assessment of calcium hypochlorite for Bacillus anthracis spore surface's decontamination.". Research in microbiology. https://doi.org/10.1016/j.resmic
Go to full study ↗
[8]PubMed2023
Interactions Between Calcium Hypochlorite and Irrigants Commonly Used in Endodontic Practice: A Chemical Analysis.
de Pellegrin SF, Pauletto G, Carlotto IB et al.. (2023). "Interactions Between Calcium Hypochlorite and Irrigants Commonly Used in Endodontic Practice: A Chemical Analysis.". Journal of endodontics. h
Go to full study ↗
📚 Scientific references (Chicago Author-Date) 11 refs · 2 baz

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

Sources: db:pubmed (10) · db:crossref (1)

  1. db:pubmed Coaguila-Llerena H, Ferraz ER, Mendes BR et al.. (2026). "Biological Advantages of Calcium Hypochlorite Solution Over Sodium Hypochlorite for Regenerative Endodontic Procedures: An Ex Vivo and In Vitro Study on Human Apical Papilla.". International endodontic journal. https://doi.org/10.1111/iej.70038 →
  2. db:pubmed Erkal D, Çakmak YE, Pistol AM et al.. (2025). "Pulp tissue dissolution capacities of two hypochlorite-based irrigants at different temperatures: an in vitro study.". BMC oral health. https://doi.org/10.1186/s12903-025-06516-y →
  3. db:pubmed Coaguila-Llerena H, Ochoa-Rodríguez VM, Passos Barbieri I et al.. (2024). "Calcium hypochlorite cytotoxicity mechanism in fibroblasts and effect on osteoblast mineralization.". International endodontic journal. https://doi.org/10.1111/iej.13983 →
  4. db:pubmed Lodi E, Bello YD, Duarte KBP et al.. (2024). "Antimicrobial Efficacy and Dentin Collagen Damage Caused by Calcium Hypochlorite and Sodium Hypochlorite.". Brazilian dental journal. https://doi.org/10.1590/0103-6440202405771 →
  5. db:pubmed Pauletto G, Guerim PHF, Barbosa AB et al.. (2024). "Efficacy of calcium hypochlorite in disinfection of gutta-percha cones contaminated with Candida albicans.". Brazilian journal of microbiology : [publication of the Brazilian Society for Microbiology]. https://doi.org/10.1007/s42770-024-01255-8 →
  6. db:pubmed Jeong SH, Kim W, Kwon JH. (2024). "Development of a new sterilization method for microalgae media using calcium hypochlorite as the sterilant.". Bioprocess and biosystems engineering. https://doi.org/10.1007/s00449-024-02971-z →
  7. db:pubmed Verguet N, Mondange L, Nolent F et al.. (2023). "Assessment of calcium hypochlorite for Bacillus anthracis spore surface's decontamination.". Research in microbiology. https://doi.org/10.1016/j.resmic.2023.104053 →
  8. db:pubmed de Pellegrin SF, Pauletto G, Carlotto IB et al.. (2023). "Interactions Between Calcium Hypochlorite and Irrigants Commonly Used in Endodontic Practice: A Chemical Analysis.". Journal of endodontics. https://doi.org/10.1016/j.joen.2023.05.003 →
  9. db:crossref (2004). "Hypochlorous Acid, Calcium Salt 7778‐54‐3". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp14524 →
  10. db:pubmed Salphale PS, Shenoi SD. (2003). "Contact sensitivity to calcium hypochlorite.". Contact dermatitis. https://doi.org/10.1034/j.1600-0536.2003.00001.x →
  11. db:pubmed (1991). "Hypochlorite salts.". IARC monographs on the evaluation of carcinogenic risks to humans.
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
7778-54-3
Molecular formula
CaCl₂O₂
Molar mass
142.98 g/mol
IUPAC name (EN)
calcium dihypochlorite
SMILES
[O-]Cl.[O-]Cl.[Ca+2]
InChIKey
ZKQDCIXGCQPQNV-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
Density
2.35

Source: PubChem, NIST WebBook. Last updated: 2026-09-02

🔍 External identifiers
11 of 16 ID systems69%
DatabaseIdentifierActions
CAS Registry Number7778-54-3Open →
PubChem CID24504[1]Open →
InChIKeyZKQDCIXGCQPQNV-UHFFFAOYSA-N[1]Open →
InChIInChI=1S/Ca.2ClO/c;2*1-2/q+2;2*-1[1]
SMILES[O-]Cl.[O-]Cl.[Ca+2][1]
EC Number231-908-7[2]Open →
DrugBankDB15912Open →
ChemSpider22912[3]Open →
UNII (FDA)11DXB629VZOpen →
NSC Number (NCI)21546Open →
WikiData QIDQ407300Open →

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

📚 Scientific references (Chicago Author-Date) (3 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. 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 (5)

  1. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Specification for Calcium Hypochlorite.". https://doi.org/10.1520/e1229. link [accessed: 2026-11-05] CC0 (metadata)
  2. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Specification for Calcium Hypochlorite.". https://doi.org/10.1520/e1229-21. link [accessed: 2026-11-05] CC0 (metadata)
  3. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Specification for Calcium Hypochlorite.". https://doi.org/10.1520/e1229-93r02. link [accessed: 2026-11-05] CC0 (metadata)
  4. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Specification for Calcium Hypochlorite.". https://doi.org/10.1520/e1229-08. link [accessed: 2026-11-05] CC0 (metadata)
  5. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Specification for Calcium Hypochlorite.". https://doi.org/10.1520/e1229-16. link [accessed: 2026-11-05] CC0 (metadata)
📡 Spectroscopy — CAS 7778-54-3
📊 Spectroscopic spectra databases — inline data 8 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
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

Data is fetched once (JCAMP-DX parser) and stored in the plugin's local database. No duplicate downloads, no NIST queries on subsequent openings. Licences respected (only a deep link plus our own visualisation is published).

🔬 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.

IR — Fourier-transform infrared

Loading IR — Fourier-transform infrared…

MS — Mass spectrometry (EI 70eV)

Loading MS — Mass spectrometry (EI 70eV)…

Structural properties
ParameterValueUnit
Molecular formulaCaCl2O2
Molar mass142.98g/mol
Exact mass141.8901255Da
Monoisotopic mass141.8901255Da
Topological polar surface area (TPSA)46.1000Ų
Complexity index2
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds0
Heavy atoms5
Stereocentres (atoms)0
Stereocentres (bonds)0
Number of 3D conformers0

Source: PubChem Computed Properties, CID 24504

❓ Frequently asked questions (6)
What is Calcium hypochlorite?
Calcium hypochlorite (CAS 7778-54-3) is a chemical compound with the molecular formula CaCl₂O₂ and a molecular weight of 142.98 g/mol. The chemical data comes from PubChem (National Institutes of Health, USA).
Helpful?
What is the CAS number of Calcium hypochlorite?
The CAS number for Calcium hypochlorite is 7778-54-3. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Helpful?
What is the chemical formula of Calcium hypochlorite?
The molecular formula of Calcium hypochlorite is CaCl₂O₂. Its molecular weight is 142.98 g/mol.
Helpful?
What is the density of Calcium hypochlorite?
The density of Calcium hypochlorite is 2.35.
Helpful?
Is Calcium hypochlorite hazardous?
Calcium hypochlorite has a harmonised EU classification (CLP Regulation, Annex VI, index no. 017-012-00-7): H272, H302, H314, H400, EUH031. Read the safety data sheet before use and follow the handling precautions it states.
Helpful?
How should Calcium hypochlorite be stored?
Calcium hypochlorite should be stored as its safety data sheet directs — typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.
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: 24504

🔄 Concentration unit converter LIVE

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

MW: 142.98 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.811e2008
    → 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

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Calculations per: IUPAC Gold Book ↗, Merck ↗

Computational chemistry

Molecular descriptors

ParameterValueUnit
Topological polar surface area (TPSA)46.10Ų
Complexity index2.0
Formal charge0
neutral molecule

Shape and volume

ParameterValueUnit
Rotatable bonds0
Heavy atoms5

Source: PubChem Computed Properties, CID 24504

🛡️ Safety — CAS 7778-54-3
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
GHS03 — Oxidizing
GHS03 Oxidizing
GHS05 — Corrosive
GHS05 Corrosive
GHS07 — Irritant / harmful
GHS07 Irritant / harmful
GHS09 — Environmental hazard
GHS09 Environmental hazard

🚨 Hazard statements (H)

  • H272 — May intensify fire; oxidiser
  • H302 — Harmful if swallowed
  • H314 — Causes severe skin burns and eye damage
  • H400 — Very toxic to aquatic life
  • EUH031

🛡 Precautionary statements (P)

  • P210 — Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking
  • P220 — Keep away from clothing and other combustible materials
  • P260 — Do not breathe dust/fume/gas/mist/vapours/spray
  • P264 — Wash thoroughly after handling
  • P270 — Do not eat, drink or smoke when using this product
  • P273 — Avoid release to the environment
  • P280 — Wear protective gloves/protective clothing/eye protection/face protection
  • P301+P312 — IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell
  • P301+P330+P331 — IF SWALLOWED: Rinse mouth; Do NOT induce vomiting
  • P303+P361+P353 — IF ON SKIN (or hair): Take off immediately all contaminated clothing; Rinse skin with water or shower
  • P304+P340 — IF INHALED: Remove person to fresh air and keep comfortable for breathing
  • P305+P351+P338 — IF IN EYES: Rinse cautiously with water for several minutes; Remove contact lenses, if present and easy to do. Continue rinsing
  • P310 — Immediately call a POISON CENTER or doctor/physician
  • P321 — Specific treatment
  • P330 — Rinse mouth
  • P363 — Wash contaminated clothing before reuse
  • P370+P378 — In case of fire: Use appropriate media to extinguish
  • P391 — Collect spillage
  • P405 — Store locked up
  • P501 — Dispose of contents/container to an approved waste collection point

✓ Harmonised classification pursuant to Annex VI of the CLP Regulation (EC) 1272/2008 (official, binding classification). Index number: 017-012-00-7.

Reference (Chicago): European Chemicals Agency. "calcium hypochlorite, Index No. 017-012-00-7." 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: 7778-54-3 · 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
References: pKa values from Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

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🧪 Solubility and solvent compatibility
Molecule
Calcium hypochlorite
Formula
CaCl₂O₂
logP (XLogP3)
—
Mass (g/mol)
142.98
Polarity
—

⚠️ Ionic / inorganic compound — Hansen parameters (δD/δP/δH) do not apply: dissolution is governed by crystal-lattice energy and ion solvation, not molecular cohesion. The HSP block and Hansen sphere are omitted. HSP-dependent columns (Compat./Ra/Visual) are marked "n/a" — base solvent selection on experimental data.

Solvent compatibility table not available for this substance.
The Hansen parameters fall outside the range of the method, so the distance Ra cannot be calculated, and the database holds no solubility measurement to put in its place. Rather than eleven ratings with nothing behind them, we show none. Base the solvent choice on the safety data sheet and on experimental data.
📚 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 7778-54-3 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
2 0 0 OX
Health: 2/4
Flammability: 0/4
Reactivity: 0/4
Special: OX
Per NFPA 704 / calculated from H-codes

Check whether Calcium hypochlorite 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)
Calcium Hypochlorite• Calcium hypochloride / Bleaching powder• IUPAC: calcium dihypochlorite• CAS: 7778-54-3• EC: 231-908-7• Formula: CaCl2O2• Mass: 142.98 g/molDANGERGHS HAZARD STATEMENTS:H272 H302 H314 H400 EUH031P301+P312 P301+P330+P331 P303+P361+P353 P304+P340 P305+P351+P338P370+P378 P310 P321 P330 P363 P391 P280 P501 P405 P210 P220 P260P264 P270 P273Nonsensia Ltd124-128 City Road, EC1V 2NX London[email protected]molgod.orgBatch No.: Net Mass:
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📚 Scientific literature overview — CAS 7778-54-3
⭐ Key findings (scientific literature) 9 publications
🏆 CAS 7778-54-3 — multi-criteria ranking (W12): 30% citations · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Coaguila-Llerena H, Ochoa-Rodríguez VM, Passos Barbieri I et al. (2024) · International endodontic journal
    Why it matters: Recent (2024) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗ PubMed ↗
  2. #2
    Coaguila-Llerena H, Ferraz ER, Mendes BR et al. (2026) · International endodontic journal
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  3. #3
    Lodi E, Bello YD, Duarte KBP et al. (2024) · Brazilian dental journal
    Why it matters: Recent (2024) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  4. #4
    Pauletto G, Guerim PHF, Barbosa AB et al. (2024) · Brazilian journal of microbiology : [publication of the Brazilian Society for Microbiology]
    Why it matters: Recent (2024) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  5. #5
    Jeong SH, Kim W, Kwon JH (2024) · Bioprocess and biosystems engineering
    Why it matters: Recent (2024)
    SCORE 4 Mechanism DOI ↗ PubMed ↗
  6. #6
    Verguet N, Mondange L, Nolent F et al. (2023) · Research in microbiology
    Why it matters: Recent (2023)
    SCORE 3.9 Mechanism DOI ↗ PubMed ↗
  7. #7
    de Pellegrin SF, Pauletto G, Carlotto IB et al. (2023) · Journal of endodontics
    Why it matters: Recent (2023)
    SCORE 3.9 Mechanism DOI ↗ PubMed ↗
  8. #8
    (1991) · IARC monographs on the evaluation of carcinogenic risks to humans
    Why it matters: Review
    SCORE 0 Review PubMed ↗
  9. #9
    Salphale PS, Shenoi SD (2003) · Contact dermatitis
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 0 Mechanism DOI ↗ PubMed ↗

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Calcium hypochlorite — CAS 7778-54-3. Prepared from the supplier’s public catalogue; not verified against their internal data.

📄 Certificates of Analysis (CoA) CAS 7778-54-3 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
📜 Patents (public metadata) no data

No public patent metadata was found for this substance in Crossref / OpenAlex at this time. Data will be updated automatically after the next cache refresh (24h).

📚 References (Chicago Author-Date) — click to expand
  1. Coaguila-Llerena H, Ferraz ER, Mendes BR et al.. (2026). "Biological Advantages of Calcium Hypochlorite Solution Over Sodium Hypochlorite for Regenerative Endodontic Procedures: An Ex Vivo and In Vitro Study on Human Apical Papilla.". International endodontic journal. https://doi.org/10.1111/iej.70038
  2. Erkal D, Çakmak YE, Pistol AM et al.. (2025). "Pulp tissue dissolution capacities of two hypochlorite-based irrigants at different temperatures: an in vitro study.". BMC oral health. https://doi.org/10.1186/s12903-025-06516-y
  3. Coaguila-Llerena H, Ochoa-Rodríguez VM, Passos Barbieri I et al.. (2024). "Calcium hypochlorite cytotoxicity mechanism in fibroblasts and effect on osteoblast mineralization.". International endodontic journal. https://doi.org/10.1111/iej.13983
  4. Lodi E, Bello YD, Duarte KBP et al.. (2024). "Antimicrobial Efficacy and Dentin Collagen Damage Caused by Calcium Hypochlorite and Sodium Hypochlorite.". Brazilian dental journal. https://doi.org/10.1590/0103-6440202405771
  5. Pauletto G, Guerim PHF, Barbosa AB et al.. (2024). "Efficacy of calcium hypochlorite in disinfection of gutta-percha cones contaminated with Candida albicans.". Brazilian journal of microbiology : [publication of the Brazilian Society for Microbiology]. https://doi.org/10.1007/s42770-024-01255-8
  6. Jeong SH, Kim W, Kwon JH. (2024). "Development of a new sterilization method for microalgae media using calcium hypochlorite as the sterilant.". Bioprocess and biosystems engineering. https://doi.org/10.1007/s00449-024-02971-z
  7. Verguet N, Mondange L, Nolent F et al.. (2023). "Assessment of calcium hypochlorite for Bacillus anthracis spore surface's decontamination.". Research in microbiology. https://doi.org/10.1016/j.resmic.2023.104053
  8. de Pellegrin SF, Pauletto G, Carlotto IB et al.. (2023). "Interactions Between Calcium Hypochlorite and Irrigants Commonly Used in Endodontic Practice: A Chemical Analysis.". Journal of endodontics. https://doi.org/10.1016/j.joen.2023.05.003
  9. (2004). "Hypochlorous Acid, Calcium Salt 7778‐54‐3". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp14524
  10. Salphale PS, Shenoi SD. (2003). "Contact sensitivity to calcium hypochlorite.". Contact dermatitis. https://doi.org/10.1034/j.1600-0536.2003.00001.x
  11. (1991). "Hypochlorite salts.". IARC monographs on the evaluation of carcinogenic risks to humans.
  12. World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
  13. U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
  14. European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
  15. Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
  16. 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.
  17. 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.
  18. Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  19. 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.
  20. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  21. Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
  22. Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  23. Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

REST: /wp-json/molgod/v1/patents/7778-54-3?status=active&limit=10

Data from PubChemSource: PubChem (NIH)
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📚 REFERENCES (Aggregate bibliography, Chicago Author-Date) 78 items

All scientific sources cited in the accordions above for CAS 7778-54-3. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Scientific databases

  1. NIST. n.d. NIST Chemistry WebBook: CAS 7778-54-3. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=7778-54-3.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 7778-54-3. 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 7778-54-3. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=7778-54-3.

📐 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://openlibrary.org/isbn/9780471879558.
  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.
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📜 License & provenancePREDICTED MODEL · NOT VERIFIED
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 3 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/24504
Model
Calcium hypochlorite · 7778-54-3
InChIKey
ZKQDCIXGCQPQNV-UHFFFAOYSA-N
License & provenance record
Calcium hypochlorite (CAS 7778-54-3) →
MolGod molecule record
Calcium hypochlorite →
Source data
PubChem CID 24504 ↗
Model information
not published yet

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