paracetamol (acetaminophen) (CAS 103-90-2) — Safety Data Sheet

  • CAS: 103-90-2

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Get the full details for CAS 103-90-2

Sixteen sections in the structure of REACH Annex II, the harmonised classification, and the source behind every value — issued in one language you choose.

A sheet that fails inspection stops the shipment, not the paperwork.

Tell us where to send it. We reply within one working day.

We reply within one working day.

Working draft €49.99 · expert-reviewed €249.99, per substance.

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  • 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.
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🧬 Visualizzatore di molecole 3D
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Modello 3D Acetaminophen, CAS 103-90-2, formula molecolare C8H9NO2, massa molare 151.16 g/mol

Dati trascritti da registri normativi e letteratura tecnica, con indicazione della fonte e dell'edizione. Non sostituiscono la scheda di dati di sicurezza del fornitore. I campi privi di fonte registrata sono contrassegnati come tali.

📊 Dati chimico-fisici — CAS 103-90-2
📊 Proprietà fisico-chimiche

Riferimento rapido

Formula: C8H9NO2
MW: 151.16 g/mol
CAS: 103-90-2
🔬 Proprietà avanzate

Identificatori chimici

SMILES: CC(=O)NC1=CC=C(C=C1)O

Ultimo aggiornamento: 2026-09-28

Panoramica chimica: Acetaminophen
Formula molecolareC8H9NO2
Peso molecolare151.16 g/mol
Punto di fusione169 °C[1]
Punto di ebollizione420 °C[1]
Densità1.263 g/cm³[1]
LogP (lipofilia)0.46[1]
pKa9.38[1]
Nome IUPACN-(4-hydroxyphenyl)acetamide
SMILESCC(=O)NC1=CC=C(C=C1)O
InChIKeyRZVAJINKPMORJF-UHFFFAOYSA-N

Sinonimi: acetaminophen · Paracetamol · 4-Acetamidophenol · 103-90-2 · N-(4-Hydroxyphenyl)acetamide

Fonti dei dati: PubChem (NLM/NIH), Merck Index 15th ed. (2013)
Ultimo aggiornamento: 2026-09-28

📚 Riferimenti scientifici (Chicago Author-Date) (1 sources)
  1. O'Neil, M.J., ed. The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals. 15th ed. Cambridge: Royal Society of Chemistry, 2013. dotyczy: Punto di fusione · Punto di ebollizione · Densità · LogP (lipofilia) · pKa
Stato normativo della sostanza
Nessuna voce per questo CAS negli elenchi di restrizioni consultati (lista di candidati SVHC, REACH Allegato XVII; insiemi di dati incompleti - questa non è una conferma di conformità). Classificazione CLP e stato di trasporto (ADR): vedere la sezione GHS e la scheda di dati di sicurezza (SDS).
🧮 Calcolatore stechiometrico
🧪 Dati chimici
Numero CAS
103-90-2
Formula molecolare
C8H9NO2
Massa molare
151.16 g/mol
Nome IUPAC (EN)
N-(4-hydroxyphenyl)acetamide
SMILES
CC(=O)NC1=CC=C(C=C1)O
InChIKey
RZVAJINKPMORJF-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
168.1
Density
1.293

Source: PubChem, NIST WebBook. Last updated: 2026-09-28

🔍 Identificatori esterni
15 su 16 sistemi ID94%
DatabaseIdentificatoreAzioni
CAS Registry Number103-90-2Apri →
PubChem CID1983[1]Apri →
InChIKeyRZVAJINKPMORJF-UHFFFAOYSA-N[1]Apri →
InChIInChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5…[1]
SMILESCC(=O)NC1=CC=C(C=C1)O[1]
EC Number203-157-5[2]Apri →
ChEMBLCHEMBL112[3]Apri →
DrugBankDB00316Apri →
KEGG CompoundD00217Apri →
HMDBHMDB0001859Apri →
ChemSpider1906[4]Apri →
MeSH UID (NLM)D000082Apri →
UNII (FDA)362O9ITL9DApri →
NSC Number (NCI)3991Apri →
WikiData QIDQ57055Apri →

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

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

Further reading

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

Bibliografia (estesa) (5)

  1. ★★★★★ CANONICAL_PAPERS 💰 Paywall (probable) ✓ verificato Flower, R.J.; Vane, J.R.. 1972. "Inhibition of prostaglandin synthetase in brain explains the anti-pyretic activity of paracetamol (4-acetamidophenol)." Nature. link [consultato: 2026-10-02]
  2. ★★★★☆ CANONICAL_PAPERS 💰 Paywall (probable) ✓ verificato Bertolini, A.; Ferrari, A.; Ottani, A.; Guerzoni, S.; Tacchi, R.; Leone, S.. 2008. "Paracetamol: new vistas of an old drug." CNS Drug Reviews. link [consultato: 2026-10-02]
  3. ★★★★☆ CANONICAL_PAPERS 💰 Paywall (probable) ✓ verificato Friderichs, E.; Christoph, T.; Buschmann, H.. 2008. "Analgesics and antipyretics — paracetamol." Ullmann's Encyclopedia of Industrial Chemistry. link [consultato: 2026-10-02]
  4. ★★★★☆ CANONICAL_PAPERS 💰 Paywall (probable) ✓ verificato Sirajuddin; Khan, A.R.; Rajput, M.T.; Khan, Z.. 2007. "HPLC determination of paracetamol and its metabolites in urine." Journal of the Brazilian Chemical Society. link [consultato: 2026-10-02]
  5. ½☆☆☆☆ CANONICAL_PAPERS ❓ ? Jóźwiak-Bebenista, M.; Nowak, J.Z.. 2016. "Paracetamol: mechanism of action, applications and safety concern." Acta Poloniae Pharmaceutica. [consultato: 2026-10-02]
📡 Spettroscopia — CAS 103-90-2
📊 Banche dati di spettri spettroscopici — dati inline 9 sources

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IR IR (Infrared) — NIST WebBook
Public domain (US Federal)
▶ Clicca per caricare lo spettro
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
MS (NIST) Mass Spectrum (EI) — NIST WebBook
Public domain (US Federal)
▶ Clicca per caricare lo spettro
🔗 Source
— points
📚 NIST Standard Reference Database 1A
UV-Vis UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
▶ Clicca per caricare lo spettro
🔗 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
▶ Clicca per caricare lo spettro
🔗 Source
— 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
▶ Clicca per caricare lo spettro
🔗 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

Fonte di riferimento — nessuna API pubblica. Apri nella banca dati esterna:

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

Fonte di riferimento — nessuna API pubblica. Apri nella banca dati esterna:

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

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

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

Dati recuperati in tempo reale da più fonti (priority-chain). JCAMP-DX / CSV / PNG disponibili per il download sotto ogni spettro. ⓘ Fonte unica ★★☆☆☆ ⓘ Fonte unica ★★☆☆☆

IR — infrarosso in trasformata di Fourier

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MS — spettrometria di massa (EI 70eV)

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❓ Domande frequenti (3)
What is 103-90-2?
103-90-2 (CAS 103-90-2) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Utile?
What is the CAS number of 103-90-2?
The CAS number for 103-90-2 is 103-90-2. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Utile?
How should 103-90-2 be stored?
103-90-2 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.
Utile?
➕ Suggerisci una domanda
Scarica i file di struttura

File di struttura molecolare dal database PubChem (NIH). Compatibili con i programmi: Avogadro, PyMOL, Jmol, ChemDraw.

Fonte: PubChem, National Library of Medicine (NIH). CID: 1983

🔄 Convertitore di unità di concentrazione LIVE

Inserisci la concentrazione Acetaminophen in qualsiasi unità — il resto verrà calcolato automaticamente.

MW: 151.16 g/mol · IUPAC Gold Book ↗

⚗️ Formule di conversione + citazioni (per formula)
ConversionFormulaAccuratezzaSource
% (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)
📚 Bibliografia (8 fonti autorevoli)
  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
Strutture molecolari simili

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🧪 Procedura guidata di preparazione della soluzione WIZARD
① Seleziona la concentrazione
② Volume finale
③ Solvente

Calcoli secondo: IUPAC Gold Book ↗, Merck ↗

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🛡️ Sicurezza — CAS 103-90-2
Avviso sulle limitazioni dei dati. Le informazioni sulla sicurezza contenute in questa pagina hanno carattere informativo e non sostituiscono la scheda di dati di sicurezza (SDS) completa. Prima di utilizzare il prodotto, consultare la scheda di dati di sicurezza aggiornata del produttore e le linee guida GHS/CLP. La classificazione CLP riguarda la sostanza pura bulk, non i preparati commerciali.

Classificazione GHS/CLP — Regolamento (CE) n. 1272/2008 + UN GHS Rev. 9 (2021).

⚠ Attenzione (Warning)
GHS07 — Irritante / nocivo
GHS07 Irritante / nocivo
GHS08 — Pericolo per la salute
GHS08 Pericolo per la salute
GHS09 — Pericolo per l'ambiente
GHS09 Pericolo per l'ambiente

🚨 Indicazioni di pericolo (H)

  • H302 — Nocivo se ingerito.
  • H401 — Toxic to aquatic life
  • H411 — Tossico per gli organismi acquatici con effetti di lunga durata.
  • H341 — Sospettato di provocare alterazioni genetiche.
  • H370 — Provoca danni agli organi.
  • H371 — Può provocare danni agli organi.
  • H372 — Provoca danni agli organi in caso di esposizione prolungata o ripetuta.
  • H373 — Può provocare danni agli organi in caso di esposizione prolungata o ripetuta.
  • H315 — Provoca irritazione cutanea.
  • H319 — Provoca grave irritazione oculare.
  • H335 — Può irritare le vie respiratorie.

🛡 Consigli di prudenza (P)

  • P264 — Lavare accuratamente … dopo l’uso.
  • P273 — Non disperdere nell’ambiente.
  • P203 — Procurarsi, leggere e seguire tutte le istruzioni di sicurezza prima dell’uso.
  • P261 — Evitare di respirare la polvere/i fumi/i gas/la nebbia/i vapori/gli aerosol.

⚠ Classificazione basata sul consenso delle fonti (PubChem / notifiche dei fornitori) — non verificata rispetto alla classificazione armonizzata dell'allegato VI (CLP). L'ambito dei pericoli può essere più ampio della classificazione ufficiale; prima dell'uso verificare con la scheda di dati di sicurezza aggiornata del fornitore.

⚠ IARC — Gruppo 3: non classificabile quanto alla cancerogenicità per l'uomo (valutato dall'IARC). (Valutazione indipendente delle evidenze di cancerogenicità da parte di IARC/WHO — integra la classificazione CLP soprastante.)
Riferimento (Chicago): IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 103-90-2. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.
Classificazione dall'elenco locale MOL-GOD (snapshot) — non verificata rispetto all'elenco IARC corrente. Verifica

Traduzioni: Regolamento CLP (CE) 1272/2008, Allegato III e IV. Dati: PubChem/NLM.

📚 Riferimenti scientifici consolidati — Chicago Author-Date 10 sources

Riferimenti raccolti da tutte le schede del Safety Hub. CAS: 103-90-2 · 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, Normative
  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. Pierwsza pomoc, Toksykologia
  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. [↗] Pierwsza pomoc, PPE, Toksykologia
  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. [↗] Utylizacja, Regulacje
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
  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. [↗] Toksykologia

Le schede con riferimenti propri (Emergency, PPE, Storage, Waste) contengono ulteriori voci bibliografiche all'interno delle rispettive sezioni.

📈 Statistica analitica (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

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Separatore: virgola, spazio, tab, nuova riga. Min 3 misurazioni.
📐 Formule statistiche
  • x̄ = Σxᵢ / n — media aritmetica
  • s² = Σ(xᵢ - x̄)² / (n-1) — varianza campionaria
  • s = √s² — deviazione standard
  • RSD% = (s / x̄) × 100% — deviazione standard relativa
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — test di Grubbs
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

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

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🧪 Solubilità e compatibilità con i solventi
Molecola
Acetaminophen
Formula
C8H9NO2
logP (XLogP3)
0.46
Massa (g/mol)
151.16
Polarità
Moderata

⚠️ Stima HSP (letteratura / group contribution). Dati indicativi — non sostituiscono le prove sperimentali.

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..

Solvente Compat. Ra Visuale GC-MS HPLC Applications Riferimenti
Water (H₂O)14 g/L (pomiar)27.3
✗ NoA (aqueous) (RP)
buffercell cultureanalyticalextraction (hydrophilic)
Ethanol (EtOH)~ Media10.9
✗ NoA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)− Scarsa12.7
✗ NoA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm
Acetone− Scarsa15.4
✗ NoB modifier (NP)
GC headspacecrystallisationdegreasingsynthesis
Acetonitrile (ACN)− Scarsa17.5
✗ NoB (RP) (RP)
HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis
DMSO~ Media10.3
✗ NoN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THF− Scarsa14.1
✗ NoB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallics
DCM (CH₂Cl₂)− Scarsa13.9
✓ YesB (NP) (NP)
extractionNP-HPLCGC-MScrystallisation (anti-solvent)
Chloroform (CHCl₃)− Scarsa16.0
✓ YesN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexane− Scarsa24.4
✓ YesA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluene− Scarsa19.7
✓ YesB (NP) (NP)
NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)
📚 Riferimenti scientifici per i solventi (Chicago Author-Date) — clicca per espandere

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 — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  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
Teoria della solubilità (applicata nella previsione della compatibilità):
  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 — Tripletta HSP (dD, dP, dH) + formula Ra.
  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, solwatochromia.
  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 dla dD/dP/dH z SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Set tabulare completo di 250+ solventi (ε, μ, donicità, numeri di accettore).
  8. PubChem Compound Database — CAS 103-90-2 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Bibliografia completa nell'accordion RIFERIMENTI (in fondo alla pagina) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Verifica la compatibilità della reazione

Verifica se Acetaminophen è compatibile con un altro reagente

📦 Matrice di compatibilità di stoccaggio
Acidi Bases Ossidanti Infiammabile Tossico Gazy
Acidi ✓ ✗ ✗ ✗ ⚠ ✗
Bases ✗ ✓ ⚠ ⚠ ⚠ ⚠
Ossidanti ✗ ⚠ ✓ ✗ ⚠ ✗
Infiammabile ✗ ⚠ ✗ ✓ ⚠ ✗
Tossico ⚠ ⚠ ⚠ ⚠ ✓ ⚠
Gazy ✗ ⚠ ✗ ✗ ⚠ ✓
✓ Conservabili insieme · ⚠ Attenzione · ✗ NON conservare insieme · OSHA Chemical Segregation ↗

Dati di compatibilità da: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Calcolatori da laboratorio (8)
Dilution (C₁V₁=C₂V₂)
Molarità (M=n/V)
Tampone pH (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Massa → Moli
Concentration % → M
ppm → mg/L
Temperature C↔F↔K

Formule verificate: IUPAC Gold Book ↗, DOI ↗

📊 Database di spettri spettroscopici
📋 Generatore di protocolli di laboratorio

Protocollo generato sulla base di: GHS SDS, Aldrich Lab Guide ↗

🏷️ Generatore di etichette (QR)
Paracetamol• acetaminophen / 4-Acetamidophenol• IUPAC: N-(4-hydroxyphenyl)acetamide• CAS: 103-90-2• EC: 203-157-5• Formula: C8H9NO2• Massa: 151.16 g/molPERICOLOINDICAZIONI DI PERICOLO GHS:(autoclassificazione dei fornitori — non vincolante)H302 H401 H411 H341 H370 H371 H372 H373 H315 H319 H335P203 P261 P264 P273Solo per uso di laboratorio!Nonsensia Ltd124-128 City Road, EC1V 2NX London[email protected]molgod.orgN. lotto: Massa netta:
Deskryptory Lipinskiego (struktura)
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Ricette predefinite:
📚 Panoramica della letteratura scientifica — CAS 103-90-2
⭐ Risultati principali (letteratura scientifica) 9 publications
🏆 CAS 103-90-2 — multi-criteria ranking (W12): 30% citazioni · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Chandrasekharan, N.V.; Dai, H.; Roos, K.L.; Evanson, N.K.; Tomsik, J. et al. (2002) · Proceedings of the National Academy of Sciences
    Perché è importante: Must-cite (canone) · wysoki impact (1640 citations)
    SCORE 11.9 Meccanismo MUST-CITE Citations: 1640 DOI ↗
  2. #2
    Flower, R.J.; Vane, J.R. (1972) · Nature
    Perché è importante: Must-cite (canone) · wysoki impact (1180 citations)
    SCORE 11.47 Meccanismo MUST-CITE Citations: 1180 DOI ↗
  3. #3
    Smilkstein, M.J.; Knapp, G.L.; Kulig, K.W.; Rumack, B.H. (1988) · New England Journal of Medicine
    Perché è importante: Must-cite (canone) · wysoki impact (1080 citations)
    SCORE 11.35 Farmacologia MUST-CITE Citations: 1080 DOI ↗
  4. #4
    Hinson, J.A.; Roberts, D.W.; James, L.P. (2005) · Handbook of Experimental Pharmacology
    Perché è importante: Must-cite (canone) · 680 citations
    SCORE 11.1 Meccanismo MUST-CITE Citations: 680 DOI ↗
  5. #5
    Paracetamol: mechanism of action, applications and safety concern
    Jóźwiak-Bebenista, M.; Nowak, J.Z. (2016) · Acta Poloniae Pharmaceutica
    Perché è importante: Must-cite (canone) · 340 citations · rassegna
    SCORE 10.2 Rassegna MUST-CITE Citations: 340
  6. #6
    Bertolini, A.; Ferrari, A.; Ottani, A.; Guerzoni, S.; Tacchi, R.; Leone, S. (2008) · CNS Drug Reviews
    Perché è importante: Must-cite (canone) · 520 citations · rassegna
    SCORE 9.95 Rassegna MUST-CITE Citations: 520 DOI ↗
  7. #7
    McGill, M.R.; Jaeschke, H. (2013) · Pharmaceutical Research
    Perché è importante: Must-cite (canone) · 420 citations
    SCORE 9.57 Farmacologia MUST-CITE Citations: 420 DOI ↗
  8. #8
    Sirajuddin; Khan, A.R.; Rajput, M.T.; Khan, Z. (2007) · Journal of the Brazilian Chemical Society
    Perché è importante: Must-cite (canone) · 160 citations
    SCORE 8.22 Analitica MUST-CITE Citations: 160 DOI ↗
  9. #9
    Friderichs, E.; Christoph, T.; Buschmann, H. (2008) · Ullmann's Encyclopedia of Industrial Chemistry
    Perché è importante: Must-cite (canone) · 210 citations
    SCORE 6.97 Industria MUST-CITE Citations: 210 DOI ↗

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📄 Certificati di Analisi (CoA) CAS 103-90-2 nessuno

Nessun certificato per questo prodotto nel database.

📚 Riferimenti scientifici (Chicago Author-Date) — fare clic per espandere

Standard di gestione dei lotti e di certificazione di laboratorio — 13 fonti indipendenti (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
📈 Predittore dello spettro UV-VIS (200-400 nm) λmax 243 nm
0%25%50%75%100%200250300350400243 nmA = ε·c·lA / Aₘₐₓ (%)
CompostoAcetaminophen (paracetamol)
λmax243 nm
λmin220 nm
εmax (M⁻¹·cm⁻¹)13,800
Solvente (query)water
Solvente (riferimento)methanol
Concentration (M)1e-4
Lunghezza del cammino ottico (cm)1
FWHM della curva46 nm

Modello: curva gaussiana centrata su λmax con scalatura secondo Beer-Lambert A = ε · c · l. Trasmittanza T = 10^(-A) · 100%.

📚 Riferimenti scientifici (Chicago Author-Date)
  1. Linstrom, Peter J., and William G. Mallard, eds. 2023. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. [DOI]
  2. Mayerhöfer, Thomas G., Samir Pahlow, and Jürgen Popp. 2020. "The Bouguer-Beer-Lambert Law: Shining Light on the Obscure." ChemPhysChem 21 (18): 2029-2046. [DOI]
  3. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2017. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning. ISBN 978-1-305-57721-3.
  4. Lindon, John C., George E. Tranter, and David W. Koppenaal, eds. 2017. "Encyclopedia of Spectroscopy and Spectrometry." 3rd ed. Amsterdam: Academic Press. ISBN 978-0-12-803224-4.
  5. Field, Leslie D., Sev Sternhell, and John R. Kalman. 2013. "Organic Structures from Spectra." 5th ed. Chichester: Wiley. ISBN 978-1-119-96582-6.
  6. Reusch, William. 2013. "Virtual Textbook of Organic Chemistry: Spectroscopy." East Lansing, MI: Michigan State University.
  7. Lampman, Gary M., Donald L. Pavia, George S. Kriz, and James R. Vyvyan. 2010. "Spectroscopy." 4th ed. Belmont, CA: Cengage Learning. ISBN 978-0-495-88992-9.
  8. Kalsi, P. S. 2010. "Spectroscopy of Organic Compounds." 6th ed. New Delhi: New Age International. ISBN 978-81-224-2032-9.
  9. Williams, Dudley H., and Ian Fleming. 2008. "Spectroscopic Methods in Organic Chemistry." 6th ed. London: McGraw-Hill. ISBN 978-0-07-711559-0.
  10. Sadek, Paul C. 2002. The HPLC Solvent Guide. 2nd ed. Hoboken: Wiley. ISBN 978-0-471-41242-2.
  11. Banwell, Colin N., and Elaine M. McCash. 1994. "Fundamentals of Molecular Spectroscopy." 4th ed. London: McGraw-Hill. ISBN 978-0-07-707976-1.
  12. Perkampus, Heinz-Helmut. 1992. UV-VIS Spectroscopy and Its Applications. Berlin: Springer. https://doi.org/10.1007/978-3-642-77479-9.
  13. Fieser, Louis F. 1949. "Extension of Woodward's Rules for Prediction of Conjugated Diene Absorption." Journal of the American Chemical Society 71 (5): 1854-1857. [DOI]
  14. Woodward, Robert B. 1942. "Structure and the Absorption Spectra of Alpha,Beta-Unsaturated Ketones." Journal of the American Chemical Society 64 (1): 72-75. [DOI]
  15. Beer, August. 1852. "Bestimmung der Absorption des rothen Lichts in farbigen Flüssigkeiten." Annalen der Physik und Chemie 86: 78-88. https://doi.org/10.1002/andp.18521620505.
  16. Lambert, Johann Heinrich. 1760. Photometria. Augsburg: Sumptibus Vidae.
🔍 Conferma tramite fonti indipendenti SINGLE λmax = 250 nm (1 sources, ±5 nm)
  • 🗃️ database Kim, Sunghwan, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. https://doi.org/10.1093/nar/gkac956. UV spectrum data for CAS 103-90-2 sourced from Hazardous Substances Data Bank (HSDB). PubChem CID: 1983. Accessed 2026. λ=250 nm
  • 🔬 peer-reviewed Gönüllü, Ü. G., Erk, N.. 1999. "Rapid and Accurate Determination of Acetaminophen and Phenprobamate in Binary Mixtures by Derivative-Differential UV Spectrophotometry and Ratio-Spectra Derivative Spectrophotometry." Analytical Letters 32 (13): 2625-2639. https://doi.org/10.1080/00032719908542993. [DOI]
  • 📚 textbook Anonymous. 1989. "Some Applications of Uv and Vis Spectrophotometry." Studies in Analytical Chemistry: 260-303. https://doi.org/10.1016/b978-0-444-98882-9.50012-8. [DOI]
  • 📚 textbook Anonymous. 1989. "Basis of Spectrophotometry in the Uv and Vis Regions." Studies in Analytical Chemistry: 13-46. https://doi.org/10.1016/b978-0-444-98882-9.50005-0. [DOI]

REST: /wp-json/molgod/v1/spectra/uv-vis/103-90-2?solvent=water&path_length_cm=1

☣️ Tossicità (LD50 / LC50) GHS Cat 4 — Bassa
LD50
1944 mg/kg[1]
Gatunek / droga
Rat / doustnie
Klasyfikacja
Slightly toxic[2][3]
Skala GHS (Acute Toxicity, oral, mg/kg bw):
Cat 1 (≤5)
Cat 2 (5–50)
Cat 3 (50–300)
Cat 4 (300–2000)
Cat 5 (2000–5000)

Fonte: Boyd & Bereczky 1966; RTECS AE4200000 (1966). CAS 103-90-2.

I dati LD50/LC50 hanno valore puramente indicativo; non sostituiscono la scheda di dati di sicurezza (SDS) né la valutazione di un esperto tossicologo. Classificazione GHS per la via orale (mg/kg bw) secondo UN GHS, 10ª rev. 2023, Annex 1 §3.1.1.

Bibliography (Chicago)
  1. NIOSH. Registry of Toxic Effects of Chemical Substances (RTECS). Cincinnati: NIOSH.
  2. United Nations. 2023. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS)." 10th rev. ed. New York: UN.
  3. Hodge, Harold C., and James H. Sterner. 1949. "Tabulation of toxicity classes." American Industrial Hygiene Association Quarterly 10 (4): 93-96.
Dalsze źródła (metodyka, nie cytowane bezpośrednio):
  • U.S. EPA. 2024. "ChemView." https://chemview.epa.gov/.
  • Lipnick, Robert L., et al. 1995. "Comparison of the up-and-down, conventional LD50, and fixed-dose acute toxicity procedures." Food and Chemical Toxicology 33 (3): 223-231.
  • ATSDR. 2024. "Toxicological Profiles." Agency for Toxic Substances and Disease Registry. https://www.atsdr.cdc.gov/.
  • Hayes, Wallace, and Claire L. Kruger, eds. 2014. "Hayes' Principles and Methods of Toxicology." 6th ed. CRC Press.
  • Lewis, Richard J. 2012. "Sax's Dangerous Properties of Industrial Materials." 12th ed. Wiley.
  • IARC. 2024. "Monographs on the Evaluation of Carcinogenic Risks to Humans." International Agency for Research on Cancer (per kryteria klasyfikacji rakotwórczości IARC Group 1/2A/2B).
  • Pohanish, Richard P. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." 7th ed. Elsevier.
  • Bingham, Eula, Barbara Cohrssen, and Charles H. Powell, eds. 2012. "Patty's Toxicology." 6th ed. Wiley.
  • WHO. 2023. "Recommended Classification of Pesticides by Hazard." World Health Organization (zgodne z UN GHS Annex 1 §3.1.1).
⚠️ Interakcje lekowe (1)

Znane interakcje farmakokinetyczne i farmakodynamiczne dla CAS 103-90-2 wg konsensusowych źródeł klinicznych. Niniejsze informacje są edukacyjne — nie zastępują konsultacji lekarskiej.

Skala evidence (Hansten & Horn)
A — randomized controlled trials · B — non-randomized clinical / PK studies · C — case reports · D — theoretical/mechanism-based
  • warfarin (CAS 81-81-2) — Safety Data Sheet
    UmiarkowaneEL: A
    CAS partnera: 81-81-2 · DrugBank DB00682 · PubChem 54678486 · ChEMBL · Papers: 10

    Mechanizm: Paracetamol w dawkach kumulacyjnych > 2 g/d przez ≥ 7 dni hamuje cykl K-witaminy (zaburza metabolizm warfaryny przez NAPQI i hamowanie VKORC1).

    Skutek kliniczny: Wzrost INR o 1–3 jednostki; istotnie zwiększone ryzyko krwawienia.

    Postępowanie: Ograniczyć paracetamol do ≤ 2 g/d przy stałej terapii warfaryną. Sprawdzić INR po 3–5 dniach od zwiększenia dawki paracetamolu.

    Źródło: Hansten & Horn 2024; Lexicomp 2024
Bibliography (Chicago)
  • Hansten, Philip D., and John R. Horn. 2024. "The Top 100 Drug Interactions: A Guide to Patient Management." H&H Publications.
  • Stockley, Ivan H., ed. 2021. "Stockley's Drug Interactions." 12th ed. Pharmaceutical Press.
  • Indiana University. 2024. "P450 Drug Interaction Table." https://drug-interactions.medicine.iu.edu/.
  • Lexicomp. 2024. "Lexicomp Drug Interactions Database." Wolters Kluwer.
  • U.S. FDA. 2023. "Drug Development and Drug Interactions Table of Substrates, Inhibitors and Inducers." https://www.fda.gov/drugs/drug-interactions-labeling/drug-development-and-drug-interactions-table-substrates-inhibitors-and-inducers.
  • Goldfrank, Lewis R., et al. 2019. "Goldfrank's Toxicologic Emergencies." 11th ed. McGraw-Hill (rozdz. Drug Interactions — synergie + antagonizmy w zatruciach mieszanych).
  • Olson, Kent R., et al. 2018. "Poisoning & Drug Overdose." 7th ed. McGraw-Hill (kliniczne management interakcji w przedawkowaniu).
  • Dollery, Colin, ed. 1999. "Therapeutic Drugs." 2nd ed. Churchill Livingstone (monografia źródłowa o interakcjach lek-lek na poziomie farmakokinetyki).
  • Rosenstock, Linda, et al. 2005. "Textbook of Clinical Occupational and Environmental Medicine." 2nd ed. Elsevier Saunders (occupational + drug exposure interakcje).
  • Lippmann, Morton. 2009. "Environmental Toxicants: Human Exposures and Their Health Effects." 3rd ed. Wiley (modulacja CYP3A4/CYP2D6 przez ekspozycje środowiskowe).
  • Hayes, Wallace, and Claire L. Kruger, eds. 2014. "Hayes' Principles and Methods of Toxicology." 6th ed. CRC Press (in vitro screening DDI: rola P-gp, BCRP).
💎 Forme cristalline / Polimorfi 3 formy w bazie
Form Gruppo spaziale Cella (Å, °) Densità (g/cm³) P.f. (°C) CCDC
Form I (monoclinic) stable P21/n a=7.093 b=9.232 c=11.671 · α=90 β=97.82 γ=90 · Z=4 1.296 169.0 HXACAN01 DOI
Form II (orthorhombic) Pcab a=17.166 b=11.777 c=7.212 · α=90 β=90 γ=90 · Z=8 1.296 156.0 HXACAN26 DOI
Form III (orthorhombic) Pca21 a=11.839 b=8.556 c=14.816 · α=90 β=90 γ=90 · Z=8 1.355 145.0 HXACAN29 DOI

Fonte: Cambridge Structural Database (CSD) + letteratura primaria. Il polimorfismo influisce su solubilità, biodisponibilità e stabilità (Brittain 2009; Bernstein 2020).

📚 Riferimenti scientifici (Chicago Author-Date)
  1. 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.
  2. Macrae, Clare F., Ioana Sovago, Simon J. Cottrell, et al. 2020. "Mercury 4.0: from visualization to analysis, design and prediction." Journal of Applied Crystallography 53 (1): 226-235. https://doi.org/10.1107/S1600576719014092.
  3. International Conference on Harmonisation. 2017. "ICH Q6A: Specifications: Test Procedures and Acceptance Criteria for New Drug Substances and New Drug Products." Geneva: ICH. https://www.ich.org/page/quality-guidelines.
  4. Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials 72 (2): 171-179.
  5. 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.
  6. Price, Sarah L. 2014. "Predicting crystal structures of organic compounds." Chemical Society Reviews 43 (7): 2098-2111. https://doi.org/10.1039/C3CS60279F.
  7. Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
  8. Yu, Lian. 2010. "Polymorphism in molecular solids: an extraordinary system of red, orange, and yellow crystals." Accounts of Chemical Research 43 (9): 1257-1266. https://doi.org/10.1021/ar100040r.
  9. Spek, Anthony L. 2009. "Structure validation in chemical crystallography." Acta Crystallographica D 65 (2): 148-155. https://doi.org/10.1107/S090744490804362X.
  10. Sheldrick, George M. 2008. "A short history of SHELX." Acta Crystallographica A 64 (1): 112-122. https://doi.org/10.1107/S0108767307043930.
  11. Florence, Alastair J. 2008. "Approaches to high-throughput physical form screening and discovery." In Polymorphism: in the Pharmaceutical Industry, edited by Rolf Hilfiker, 139-184. Weinheim: Wiley-VCH.
  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. Bond, Andrew D., Roland Boese, and Gautam R. Desiraju. 2007. "On the polymorphism of aspirin: crystalline aspirin as intergrowths of two polymorphic domains." Angewandte Chemie International Edition 46 (4): 618-622. https://doi.org/10.1002/anie.200603373.
  14. Hilfiker, Rolf, ed. 2006. Polymorphism in the Pharmaceutical Industry. Weinheim: Wiley-VCH.
  15. Singhal, Dharmendra, and William Curatolo. 2004. "Drug Polymorphism and Dosage Form Design: A Practical Perspective." Advanced Drug Delivery Reviews 56 (3): 335-347.
  16. Datta, Sapan, and David J. W. Grant. 2004. "Crystal structures of drugs: advances in determination, prediction and engineering." Nature Reviews Drug Discovery 3 (1): 42-57. https://doi.org/10.1038/nrd1280.
  17. Allen, Frank H. 2002. "The Cambridge Structural Database: a quarter of a million crystal structures and rising." Acta Crystallographica B 58 (3): 380-388. https://doi.org/10.1107/S0108768102003890.
  18. Bauer, Jeffery, Stephen Spanton, Rodger Henry, et al. 2001. "Ritonavir: an extraordinary example of conformational polymorphism." Pharmaceutical Research 18 (6): 859-866. https://doi.org/10.1023/A:1011052932607.
  19. Vippagunta, Sudha R., Harry G. Brittain, and David J. W. Grant. 2001. "Crystalline solids." Advanced Drug Delivery Reviews 48 (1): 3-26. https://doi.org/10.1016/S0169-409X(01)00097-7.
  20. Mullin, John W. 2001. Crystallization. 4th ed. Oxford: Butterworth-Heinemann.
  21. Chemburkar, Sanjay R., Jeffery Bauer, Klaus Deming, et al. 2000. "Dealing with the impact of ritonavir polymorphs on the late stages of bulk drug process development." Organic Process Research & Development 4 (5): 413-417. https://doi.org/10.1021/op000023y.
  22. Davey, Roger J., and John Garside. 2000. From Molecules to Crystallizers: An Introduction to Crystallization. Oxford Chemistry Primer 86. Oxford: Oxford University Press.
  23. U.S. Food and Drug Administration. 2000. "Guidance for Industry — Q6A Specifications: Test Procedures and Acceptance Criteria for New Drug Substances and New Drug Products: Chemical Substances." Silver Spring, MD: FDA. https://www.fda.gov/media/71361/download.
  24. Bernstein, Joel, and Anthony L. Henck. 1998. "Disappearing and Reappearing Polymorphs — An Anathema to Crystal Engineering?" Crystal Engineering 1 (2): 119-125.
  25. Threlfall, Terence L. 1995. "Analysis of organic polymorphs: a review." The Analyst 120 (10): 2435-2460. https://doi.org/10.1039/AN9952002435.
  26. Desiraju, Gautam R. 1995. "Supramolecular synthons in crystal engineering — a new organic synthesis." Angewandte Chemie International Edition 34 (21): 2311-2327. https://doi.org/10.1002/anie.199523111.
  27. Bürgi, Hans-Beat, and Jack D. Dunitz, eds. 1994. Structure Correlation. 2 vols. Weinheim: VCH.
  28. Gavezzotti, Angelo. 1994. "Are crystal structures predictable?" Accounts of Chemical Research 27 (10): 309-314. https://doi.org/10.1021/ar00046a004.
  29. Etter, Margaret C. 1990. "Encoding and decoding hydrogen-bond patterns of organic compounds." Accounts of Chemical Research 23 (4): 120-126. https://doi.org/10.1021/ar00172a005.
  30. Burger, Artur, and Rudolf Ramberger. 1979. "On the polymorphism of pharmaceuticals and other molecular crystals. I. Theory of thermodynamic rules." Mikrochimica Acta 72 (3-4): 259-271. https://doi.org/10.1007/BF01197379.
  31. Haleblian, John, and Walter McCrone. 1969. "Pharmaceutical applications of polymorphism." Journal of Pharmaceutical Sciences 58 (8): 911-929. https://doi.org/10.1002/jps.2600580802.
  32. McCrone, Walter C. 1965. "Polymorphism." In Physics and Chemistry of the Organic Solid State, edited by David Fox, Mortimer M. Labes, and Arnold Weissberger, vol. 2, 725-767. New York: Interscience.
  33. Ostwald, Wilhelm. 1897. "Studien über die Bildung und Umwandlung fester Körper." Zeitschrift für Physikalische Chemie 22: 289-330.
Dati da PubChemFonte: PubChem (NIH) · ChEMBL
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📚 RIFERIMENTI (Bibliografia complessiva, Chicago Author-Date) 79 elementi

Tutte le fonti scientifiche citate negli accordion sopra per il CAS 103-90-2.Formato: Chicago Manual of Style 17ª ed., sistema Author-Date.

🗄️ Banche dati scientifiche

  1. NIST. n.d. NIST Chemistry WebBook: CAS 103-90-2. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=103-90-2.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 103-90-2. 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 103-90-2. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=103-90-2.

📐 Standard / Linee guida

  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.

📖 Libri

  1. O'Neil, Maryadele J., ed. 2013. The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th ed.. Cambridge: Royal Society of Chemistry.
  2. 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.
  3. 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.
  4. 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.
  5. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  6. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📘 Monographs

  1. IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 103-90-2. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.

📄 Articoli scientifici (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.

🌐 Siti web

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  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.
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  56. 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.
  57. 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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Acetaminophen (CAS 103-90-2), C8H9NO2 - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL previewPobierz obraz

MG-STL-103-90-2-GRAVERED · 264,160 △ · 13 MB · SHA-256 f027d97b3641e0b9

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Acetaminophen (CAS 103-90-2), C8H9NO2 - 3D ball-and-stick molecular model, MolGod STL previewPobierz obraz

MG-STL-103-90-2-NORMAL · 8,320 △ · 406 KB · SHA-256 e5a3bc68e5b68ad8

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Modello
Acetaminophen · 103-90-2
InChIKey
RZVAJINKPMORJF-UHFFFAOYSA-N
Licenza
CC BY-SA 4.0 International
Attribuzione
MolGod Scientific — Acetaminophen (CAS 103-90-2)
Scheda di licenza e provenienza
Acetaminophen (CAS 103-90-2) →
Scheda molecolare MolGod
Acetaminophen →
Dati di origine
PubChem CID 1983 ↗
Informazioni sul modello
STL generato da MolGod · MolGod STL Exporter build a53b3c2cff9c · generato il 2026-10-01
SHA-256 (STL)
e5a3bc68e5b68ad87eeb7e3eb05701843b0fe72bd57fb25a5ca9efe5495223f5
MD5 (STL)
3e7ba000e6a195ba7b86bda019ea64b0
Identificativo del modello
MG-STL-103-90-2
Trasformazione
Mesh a sfere e bastoncini MolGod Scientific
Modifiche
Convertito in una mesh molecolare triangolata; coordinate atomiche e connettività invariate.
Wikimedia Commons
non ancora pubblicato

Questa licenza si applica alla mesh STL creata da MolGod, non automaticamente al materiale di origine di terzi.