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Substance Name: Anthanthrene
RN: 191-26-4
UNII: L65OZG189H
InChIKey: YFIJJNAKSZUOLT-UHFFFAOYSA-N

Molecular Formula

  • C22-H12

Molecular Weight

  • 276.337
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Anthanthrene

Synonyms

  • 4-05-00-02765 (Beilstein Handbook Reference)
  • Anthanthren
  • Anthanthren [German]
  • Anthanthrene
  • Anthranthrene
  • BRN 2052392
  • CCRIS 48
  • Dibenzo(cd,jk)pyrene
  • EINECS 205-884-3
  • UNII-L65OZG189H

Systematic Names

  • Anthanthrene
  • Dibenzo(def,mno)chrysene

Superlist Name

  • Anthanthrene

Registry Numbers

CAS Registry Number

  • 191-26-4

FDA UNII

  • L65OZG189H

System Generated Number

  • 0000191264

Structure Descriptors

InChI

1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H

InChIKey

YFIJJNAKSZUOLT-UHFFFAOYSA-N

Smiles

c12c3c4c5cccc4ccc3cc3c1c(ccc2c5)ccc3

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 7.04 (none)   EXP
Water Solubility 1.27E-03 mg/L 25 EST
Vapor Pressure 8.75E-10 mm Hg 25 EST
Henry's Law Constant 1.31E-07 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.