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Substance Name: Benzo(e)pyrene
RN: 192-97-2
UNII: 63APT6398R
InChIKey: TXVHTIQJNYSSKO-UHFFFAOYSA-N

Molecular Formula

  • C20-H12

Molecular Weight

  • 252.315
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Benzo(e)pyrene

Synonyms

  • 1,2-Benzopyrene
  • 1,2-Benzopyrene (VAN)
  • 1,2-Benzpyrene
  • 1,2-Benzpyrene (VAN)
  • 4,5-Benzopyrene
  • 4,5-Benzpyrene
  • 4-05-00-02689 (Beilstein Handbook Reference)
  • 9,10-Benzpyrene
  • B(e)P
  • Benz(e)pyrene
  • Benzo(e)pyrene
  • Benzo(l)pyrene
  • BRN 1911334
  • CCRIS 786
  • EINECS 205-892-7
  • HSDB 4031
  • NSC 89273
  • UNII-63APT6398R

Systematic Name

  • Benzo(e)pyrene

Superlist Name

  • Benzo(e)pyrene

Registry Numbers

CAS Registry Number

  • 192-97-2

FDA UNII

  • 63APT6398R

System Generated Number

  • 0000192972

Structure Descriptors

InChI

1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H

InChIKey

TXVHTIQJNYSSKO-UHFFFAOYSA-N

Smiles

c12c3c4c5ccccc5c1cccc2ccc3ccc4

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 177.5 deg C   EXP
log P (octanol-water) 6.44 (none)   EXP
Water Solubility 0.0063 mg/L 25 EXP
Henry's Law Constant 3.00E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.50E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.