Product Name

  • Name

    9,10-dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene

  • EINECS
  • CAS No. 79647-25-9
  • Density 1.474g/cm3
  • Solubility
  • Melting Point
  • Formula C21H18 O3
  • Boiling Point 627.8°C at 760 mmHg
  • Molecular Weight 318.39
  • Flash Point 333.5°C
  • Transport Information
  • Appearance
  • Safety Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk Codes
  • Molecular Structure Molecular Structure of 79647-25-9 (9,10-dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene)
  • Hazard Symbols
  • Synonyms 9,10-dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene
  • PSA 52.99000
  • LogP 3.24780

3-Mca-anti-9,10-diol-7,8-epoxide Chemical Properties

Empirical Formula of 3-Mca-anti-9,10-diol-7,8-epoxide (CAS NO.79647-25-9): C21H18O3
Molecular Weight: 318.3658 
Index of Refraction: 1.819
Density: 1.474 g/cm3
Flash Point: 333.5 °C
Enthalpy of Vaporization: 97.65 kJ/mol
Boiling Point: 627.8 °C at 760 mmHg
Vapour Pressure: 1.26E-16 mmHg at 25 °C
Structure of 3-Mca-anti-9,10-diol-7,8-epoxide (CAS NO.79647-25-9):
                             
Canonical SMILES: CC1=C2CCC3=C2C(=CC4=C3C=CC5=C4C6C(O6)C(C5O)O)C=C1
InChI: InChI=1S/C21H18O3/c1-9-2-3-10-8-15-12(13-6-4-11(9)16(10)13)5-7-14-17(15)20-21(24-20)19(23)18(14)22/h2-3,5,7-8,18-23H,4,6H2,1H3
InChIKey: IVHWSXJFXWPPMY-UHFFFAOYSA-N

3-Mca-anti-9,10-diol-7,8-epoxide Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition 3-Mca-anti-9,10-diol-7,8-epoxide (CAS NO.79647-25-9) emits acrid smoke and irritating vapors.

3-Mca-anti-9,10-diol-7,8-epoxide Specification

 3-Mca-anti-9,10-diol-7,8-epoxide , its cas register number is 79647-25-9. It also can be called 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene ; Indeno(7',1':6,7,8)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,6,7,11c-hexahydro-8-methyl-, (1aS-(1aalpha,2beta,3alpha,11calpha))- ; and Indeno(7',1':6,7,8)phenanthro(3,4-b)oxirane-2,3-diol, 1a,2,3,6,7,11c-hexahydro-8-methyl-, (1aS-(1a-alpha,2-beta,3-alpha,11c-alpha))- .

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