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Substance Name: 3,4-Benzphenanthrene
RN: 195-19-7
UNII: H22XVR3V8A
InChIKey: TUAHORSUHVUKBD-UHFFFAOYSA-N

Molecular Formula

  • C18-H12

Molecular Weight

  • 228.293
 

Classification Codes

Classification Codes

  • Mutagens
  • Mutation Data
  • Noxae
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 3,4-Benzphenanthrene
  • Benzo(c)phenanthrene

Synonyms

  • 3,4-Benzophenanthrene
  • 3,4-Benzphenanthrene
  • 4-05-00-02552 (Beilstein Handbook Reference)
  • Benzo(c)phenanthrene
  • BRN 1909296
  • EINECS 205-896-9
  • Tetrahelicene
  • UNII-H22XVR3V8A

Systematic Name

  • Benzo(c)phenanthrene

Superlist Name

  • Benzo(c)phenanthrene

Registry Numbers

CAS Registry Number

  • 195-19-7

FDA UNII

  • H22XVR3V8A

System Generated Number

  • 0000195197

Structure Descriptors

InChI

1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H

InChIKey

TUAHORSUHVUKBD-UHFFFAOYSA-N

Smiles

c12c3c(ccc2ccc2c1cccc2)cccc3

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 68 deg C   EXP
log P (octanol-water) 5.520 (none)   EST
Water Solubility 0.00345 mg/L 25 EXP
Vapor Pressure 6.66E-07 mm Hg 25 EST
Henry's Law Constant 5.01E-06 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.