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Substance Name: Dibenzo(a,e)pyrene
RN: 192-65-4
UNII: SAC8PEK62H
InChIKey: KGHMWBNEMFNJFZ-UHFFFAOYSA-N

Molecular Formula

  • C24-H14

Molecular Weight

  • 302.375
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
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Names and Synonyms

Name of Substance

  • Dibenzo(a,e)pyrene

Synonyms

  • 1,2,4,5-Dibenzopyrene
  • 4-05-00-02803 (Beilstein Handbook Reference)
  • BRN 2054070
  • CCRIS 212
  • DB(a,e)P
  • Dibenzo(a,e)pyrene
  • EINECS 205-891-1
  • HSDB 4030
  • Naptho(1,2,3,4-def)chrysene
  • UNII-SAC8PEK62H

Systematic Names

  • Dibenzo(a,e)pyrene
  • Naphtho(1,2,3,4-def)chrysene

Superlist Names

  • Dibenzo(a,e)pyrene
  • Dibenzo(a,e)pyrene [Polycyclic aromatic compounds]
  • Dibenzo(a,e)pyrene [Polycyclic aromatic hydrocarbons]
  • Naphtho(1,2,3,4-def)chrysene

Registry Numbers

CAS Registry Number

  • 192-65-4

FDA UNII

  • SAC8PEK62H

System Generated Number

  • 0000192654

Structure Descriptors

InChI

1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H

InChIKey

KGHMWBNEMFNJFZ-UHFFFAOYSA-N

Smiles

c12c3c4c5ccccc5c1cc1ccccc1c2ccc3ccc4

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 233.5 deg C   EXP
log P (octanol-water) 7.280 (none)   EST
Water Solubility 8.02E-05 mg/L 25 EST
Vapor Pressure 7.03E-11 mm Hg 25 EST
Henry's Law Constant 1.41E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.00E-11 cm3/molecule-sec 25 EST

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