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Substance Name: Cholanthrene
RN: 479-23-2
UNII: 429L45KABE
InChIKey: KVFJBIQWENJTDM-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C20-H14

Molecular Weight

  • 254.3306
 
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Names and Synonyms

Name of Substance

  • Cholanthrene

Synonyms

  • 1,2-Dihydroxybenz(j)aceanthrylene
  • 4-05-00-02638 (Beilstein Handbook Reference)
  • 7,8-Dimethylenebenz(a)anthracene
  • Benz(7,8)aceanthrene
  • Benz(j)aceanthrene
  • Benz(j)aceanthrylene, 1,2-dihydro-
  • BRN 1965625
  • Cholanthrene
  • EINECS 207-528-2
  • HSDB 2809
  • UNII-429L45KABE

Systematic Names

  • Benz(j)aceanthrylene, 1,2-dihydro-
  • Cholanthrene

Registry Numbers

CAS Registry Number

  • 479-23-2

FDA UNII

  • 429L45KABE

System Generated Number

  • 0000479232

Structure Descriptors

InChI

InChI=1S/C20H14/c1-2-7-16-13(4-1)8-10-17-18-11-9-14-5-3-6-15(20(14)18)12-19(16)17/h1-8,10,12H,9,11H2

InChIKey

KVFJBIQWENJTDM-UHFFFAOYSA-N

Smiles

C1Cc2c3ccc4ccccc4c3cc5cccc1c25

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 174 deg C   EXP
log P (octanol-water) 6.500 (none)   EST
Water Solubility 0.0035 mg/L 27 EXP
Vapor Pressure 7.23E-08 mm Hg 25 EST
Henry's Law Constant 2.69E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.53E-10 cm3/molecule-sec 25 EST

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