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Alclofenac epoxide

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  • Name Alclofenac epoxide
  • EINECSN/A
  • CAS No. 70319-10-7
  • Density1.401g/cm3
  • PSA59.06000
  • LogP1.74470
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC11H11ClO4
  • Boiling Point411.2°Cat760mmHg
  • Molecular Weight242.67
  • Flash Point202.5°C
  • Transport InformationN/A
  • AppearanceN/A
  • SafetyMutation data reported. When heated to decomposition it emits toxic fumes of Cl.
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 70319-10-7 (alclofenac epoxide)
  • Hazard SymbolsN/A
  • SynonymsN/A

Alclofenac epoxide Chemical Properties

Molecular Structure of Alclofenac epoxide (CAS NO.70319-10-7):


IUPAC: [3-Chloro-4-(oxiran-2-ylmethoxy)phenyl]acetic acid
Molecular Formula: C11H11ClO4
Molecular Weight: 242.6556
Density: 1.401 g/cm3
Boiling point: 411.2oC at 760 mmHg
Flash point: 202.5oC
Index of Refraction: 1.581
Surface Tension: 56.7 dyne/cm
Enthalpy of Vaporization: 69.97 kJ/mol
Vapour Pressure: 1.69E-07 mmHg at 25oC
SMILES: O=C(O)Cc2cc(Cl)c(OCC1OC1)cc2
InChI: InChI=1/C11H11ClO4/c12-9-3-7(4-11(13)14)1-2-10(9)16-6-8-5-15-8/h1-3,8H,4-6H2,(H,13,14)  
InChIKey: FQBFPTMSLNQVNW-UHFFFAOYAA 

Alclofenac epoxide Toxicity Data With Reference

1.    

mmo-sat 100 µg/plate

    JJATDK    JAT, Journal of Applied Toxicology. 3 (1983),230.
2.    

otr-ham:emb 125 mg/L

    CBINA8    Chemico-Biological Interactions. 34 (1981),95.

Alclofenac epoxide Safety Profile

Mutation data reported. When heated to decomposition it emits toxic fumes of Cl.

Alclofenac epoxide Specification

 Alclofenac epoxide with cas registry number of 70319-10-7 is also known as (3-beta,5-alpha,15-beta)-19-Oxo-3,14,15-trihydroxycard-20(22)-enolide ; Alloglaucotoxigenin ; Alloglucotoxigenin ; 5-alpha-Card-20(22)-enolide, 3-beta,14,15-beta-trihydroxy-19-oxo- (8CI) ; Card-20(22)-enolide, 19-oxo-3,14,15-trihydroxy-, (3-beta,5-alpha,15-beta)- . Alclofenac epoxide was shown to inhibit the activity of yeast alcohol dehydrogenase and form a conjugate with cysteine. It showed mutagenic effects on strains of Salmonella typhimurium sensitive to alkylating agents, but had no effect on strains sensitive to intercalating agents. Alclofenac epoxide with cas registry number of 70319-10-7 is used as a intermediate.

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