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Substance Name: Triphenylene
RN: 217-59-4
UNII: 18WX3373I0
InChIKey: SLGBZMMZGDRARJ-UHFFFAOYSA-N

Molecular Formula

  • C18-H12

Molecular Weight

  • 228.293
 

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

  • Triphenylene

Synonyms

  • 1,2,3,4-Dibenznaphthalene
  • 9,10-Benzophenanthrene
  • 9,10-Benzphenanthrene
  • Benzo(l)phenanthrene
  • CCRIS 1301
  • EINECS 205-922-9
  • Isochrysene
  • NSC 57455
  • Triphenylene
  • UNII-18WX3373I0

Systematic Name

  • Triphenylene

Superlist Name

  • Triphenylene

Registry Numbers

CAS Registry Number

  • 217-59-4

FDA UNII

  • 18WX3373I0

System Generated Number

  • 0000217594

Structure Descriptors

InChI

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

InChIKey

SLGBZMMZGDRARJ-UHFFFAOYSA-N

Smiles

c1ccc2c3ccccc3c4ccccc4c2c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 199 deg C   EXP
Boiling Point 425 deg C   EXP
log P (octanol-water) 5.49 (none)   EXP
Water Solubility 0.0411 mg/L 25 EXP
Henry's Law Constant 1.54E-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.