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Substance Name: Phenanthrene
RN: 85-01-8
UNII: 448J8E5BST
InChIKey: YNPNZTXNASCQKK-UHFFFAOYSA-N

Molecular Formula

  • C14-H10

Molecular Weight

  • 178.233
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 246
  • 2011 CERCLA Priority List, Rank: 246
  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 5000 lb
  • TWA (0.2 ppm);

Names and Synonyms

Name of Substance

  • Phenanthrene

Synonyms

  • AI3-00790
  • CCRIS 1233
  • EINECS 201-581-5
  • HSDB 2166
  • NSC 26256
  • Phenanthren
  • Phenanthren [German]
  • Phenanthrin
  • Ravatite
  • UNII-448J8E5BST

Systematic Names

  • Phenanthrene
  • Phenanthrene, pure

Superlist Names

  • Coal tar pitch volatiles: phenanthrene
  • Phenanthrene

Registry Numbers

CAS Registry Number

  • 85-01-8

FDA UNII

  • 448J8E5BST

System Generated Number

  • 0000085018

Structure Descriptors

InChI

1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H

InChIKey

YNPNZTXNASCQKK-UHFFFAOYSA-N

Smiles

c12c3c(ccc1cccc2)cccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg)   JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 911, 1979.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00190,
mouse LD50 oral 700mg/kg (700mg/kg)   Hygiene and Sanitation Vol. 29(6), Pg. 19, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 99.2 deg C   EXP
Boiling Point 340 deg C   EXP
log P (octanol-water) 4.46 (none)   EXP
Water Solubility 1.15 mg/L 25 EXP
Vapor Pressure 1.21E-04 mm Hg 25 EXP
Henry's Law Constant 4.23E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.30E-11 cm3/molecule-sec 23 EXP

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