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Substance Name: Benzotriphenylene
RN: 215-58-7
UNII: 6OC62KCV5A
InChIKey: RAASUWZPTOJQAY-UHFFFAOYSA-N

Molecular Formula

  • C22-H14

Molecular Weight

  • 278.353
 

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

  • Benzotriphenylene

Synonyms

  • 1,2:3,4-Dibenzanthracene
  • 1,2:3,4-Dibenzoanthracene
  • 2,3-Benzotriphenylene
  • 4-05-00-02724 (Beilstein Handbook Reference)
  • BRN 1912415
  • CCRIS 934
  • Dibenz(a,c)anthracene
  • Dibenzo(a,c)anthracene
  • EINECS 205-920-8
  • UNII-6OC62KCV5A

Systematic Names

  • Benzo(b)triphenylene
  • Dibenz(a,c)anthracene

Superlist Name

  • Dibenz(a,c)anthracene

Registry Numbers

CAS Registry Number

  • 215-58-7

FDA UNII

  • 6OC62KCV5A

System Generated Number

  • 0000215587

Structure Descriptors

InChI

1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H

InChIKey

RAASUWZPTOJQAY-UHFFFAOYSA-N

Smiles

c12c(c3c(cccc3)c3c1cccc3)cc1ccccc1c2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 206 deg C   EXP
Boiling Point 524 deg C   EXP
log P (octanol-water) 6.41 (none)   EXP
Water Solubility 0.0016 mg/L 25 EXP
Vapor Pressure 3.73E-09 mm Hg 25 EST
Henry's Law Constant 4.89E-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.