Product Name

  • Name

    CCRIS 799

  • EINECS
  • CAS No. 3067-14-9
  • Article Data2
  • CAS DataBase
  • Density 1.426g/cm3
  • Solubility
  • Melting Point 291°C (rough estimate)
  • Formula C20H10 O2
  • Boiling Point 563.9°C at 760 mmHg
  • Molecular Weight 282.298
  • Flash Point 206.2°C
  • Transport Information
  • Appearance
  • Safety Questionable carcinogen with experimental neoplastigenic data by skin contact. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 3067-14-9 (CCRIS 799)
  • Hazard Symbols
  • Synonyms 3,6-Dihydrobenzo[a]pyrene-3,6-dione;Benzo[a]pyrene-3,6-quinone
  • PSA 34.14000
  • LogP 4.26070

Benzo(a)pyrene 3,6-dione Chemical Properties

Product Name: Benzo(a)pyrene 3,6-dione (CAS NO.3067-14-9)


Molecular Formula: C20H10O2
Molecular Weight: 282.30g/mol
Mol File: 3067-14-9.mol
Boiling point: 563.9 °C at 760 mmHg
Flash Point: 206.2 °C
Density: 1.426 g/cm3
Surface Tension: 71 dyne/cm
Enthalpy of Vaporization: 84.74 kJ/mol
Vapour Pressure: 9.68E-13 mmHg at 25°C
XLogP3-AA: 4.3
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Benzo(a)pyrene 3,6-dione (CAS NO.3067-14-9):
  IUPAC Name: benzo[b]pyrene-3,6-dione
Canonical SMILES: C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C=CC5=O)C2=O
  InChI: InChI=1S/C20H10O2/c21-17-10-6-11-5-7-13-12-3-1-2-4-14(12)20(22)16-9-8-15
(17)18(11)19(13)16/h1-10H 
  InChIKey: MYRYNZSMCVOJHZ-UHFFFAOYSA-N

Benzo(a)pyrene 3,6-dione Toxicity Data With Reference

1.    

mma-sat 5 µg/plate

     ENMUDM    Environmental Mutagenesis. 7 (1985),839.
2.    

dnd-hmn:fbr 1 µmol/L

     TOLED5    Toxicology Letters. 28 (1985),37.
3.    

msc-ham:lng 2 mg/L

     CNREA8    Cancer Research. 36 (1976),3350.

Benzo(a)pyrene 3,6-dione Consensus Reports

EPA Genetic Toxicology Program.

Benzo(a)pyrene 3,6-dione Safety Profile

Questionable carcinogen with experimental neoplastigenic data by skin contact. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

Benzo(a)pyrene 3,6-dione Specification

 Benzo(a)pyrene 3,6-dione ,its CAS NO. is 3067-14-9,the synonyms is Benzo(a)pyrene-3,6-quinone ; 3,6-Benzo(a)pyrenedione ; 3,6-Benzo(a)pyrenequinone ; 3-07-00-04370 (Beilstein Handbook Reference) ; BP-3,6-Quinone ; BRN 2334218  ; CCRIS 799 .

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