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Substance Name: Dibenzo(a,h)pyrene
RN: 189-64-0
UNII: XR5R3V8BJK
InChIKey: RXUSYFJGDZFVND-UHFFFAOYSA-N

Molecular Formula

  • C24-H14

Molecular Weight

  • 302.3746
 

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,h)pyrene

Synonyms

  • 1,2,6,7-Dibenzopyrene
  • 3,4,8,9-Dibenzopyrene
  • 3,4,8,9-Dibenzpyrene
  • 4-05-00-02802 (Beilstein Handbook Reference)
  • BRN 2054067
  • CCRIS 213
  • DB(a,h)P
  • Dibenzo(a,h)pyrene
  • Dibenzo(b,def)chrysene
  • EINECS 205-878-0
  • HSDB 4028
  • UNII-XR5R3V8BJK

Systematic Names

  • Dibenzo(a,h)pyrene
  • Dibenzo(b,def)chrysene

Superlist Names

  • Dibenzo(a,h)pyrene
  • Dibenzo(a,h)pyrene [Polycyclic aromatic compounds]
  • Dibenzo(a,h)pyrene [Polycyclic aromatic hydrocarbons]
  • Dibenzo(b,def)chrysene

Registry Numbers

CAS Registry Number

  • 189-64-0

FDA UNII

  • XR5R3V8BJK

System Generated Number

  • 0000189640

Structure Descriptors

InChI

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

InChIKey

RXUSYFJGDZFVND-UHFFFAOYSA-N

Smiles

c12c3c4c5c(cccc5)cc3ccc1c1c(cccc1)cc2cc4

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 317 deg C   EXP
log P (octanol-water) 7.280 (none)   EST
Water Solubility 3.50E-05 mg/L 25 EST
Vapor Pressure 6.41E-12 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.