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Substance Name: Dibenzo(a,i)pyrene
RN: 189-55-9
UNII: 7FMI112D18
InChIKey: TUGYIJVAYAHHHM-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
  • Reportable Quantity (RQ) = 10 lb
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Names and Synonyms

Name of Substance

  • Dibenzo(a,i)pyrene

Synonyms

  • 1,2,7,8-Dibenzopyrene
  • 1,2:7,8-Dibenzpyrene
  • 3,4:9,10-Dibenzopyrene
  • 3,4:9,10-Dibenzpyrene
  • 4-05-00-02803 (Beilstein Handbook Reference)
  • Benzo(r,s,t)pentaphene
  • Benzo(rst)pentaphene
  • BRN 1881370
  • CCRIS 214
  • DB(a,i)p
  • Dibenz(a,i)pyrene
  • Dibenzo(a,i)pyrene
  • Dibenzo(b,h)pyrene
  • EINECS 205-877-5
  • HSDB 4027
  • NSC 87521
  • RCRA waste number U064
  • UNII-7FMI112D18

Systematic Names

  • Benzo(r,s,t)pentaphene
  • Benzo(rst)pentaphene
  • Dibenzo(a,i)pyrene

Superlist Names

  • Benzo(rst)pentaphene
  • Benzo(rst)pentaphene [Polycyclic aromatic compounds]
  • Dibenzo(a,i)pyrene
  • Dibenzo(a,i)pyrene [Polycyclic aromatic hydrocarbons]
  • RCRA waste no. U064

Registry Numbers

CAS Registry Number

  • 189-55-9

FDA UNII

  • 7FMI112D18

System Generated Number

  • 0000189559

Structure Descriptors

InChI

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

InChIKey

TUGYIJVAYAHHHM-UHFFFAOYSA-N

Smiles

c12c3c4c5c(cccc5)cc3ccc2cc2c(c1cc4)cccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 281.5 deg C   EXP
log P (octanol-water) 7.280 (none)   EST
Water Solubility 5.54E-04 mg/L 25 EST
Vapor Pressure 1.78E-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.