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Substance Name: Benz(a)anthracene
RN: 56-55-3
UNII: C5PLF6152K
InChIKey: DXBHBZVCASKNBY-UHFFFAOYSA-N

Note

  • 4 fused rings of which one is angular in contrast to the linear NAPHTHACENES.

Molecular Formula

  • C18-H12

Molecular Weight

  • 228.293
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 39
  • 2011 CERCLA Priority List, Rank: 37
  • Overall Carcinogenic Evaluation: Group 2A
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 10 lb
  • TWA: exposure by all routes should be carefully controlled to levels as low as possible, Suspected human carcinogen

Names and Synonyms

Name of Substance

  • Benz(a)anthracene

Synonyms

  • 1,2-Benz(a)anthracene
  • 1,2-Benzanthracene
  • 1,2-Benzanthrazen
  • 1,2-Benzanthrazen [German]
  • 1,2-Benzanthrene
  • 1,2-Benzoanthracene
  • 2,3-Benzophenanthrene
  • 2,3-Benzphenanthrene
  • AI3-50599
  • BA
  • Benz(a)anthracene
  • Benzanthracene
  • Benzanthrene
  • Benzo(a)anthracene
  • Benzo(b)phenanthrene
  • Benzoanthracene
  • CCRIS 69
  • EINECS 200-280-6
  • HSDB 4003
  • Naphthanthracene
  • NSC 30970
  • RCRA waste number U018
  • Tetraphene
  • UNII-C5PLF6152K

Systematic Name

  • Benz(a)anthracene

Superlist Names

  • 1,2-Benzanthracene
  • Benz(a)anthracene
  • Benz(a)anthracene [Polycyclic aromatic compounds]
  • Benz(a)anthracene [Polycyclic aromatic hydrocarbons]
  • Benzo(a)anthracene
  • RCRA waste no. U018

Registry Numbers

CAS Registry Number

  • 56-55-3

FDA UNII

  • C5PLF6152K

System Generated Number

  • 0000056553

Structure Descriptors

InChI

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

InChIKey

DXBHBZVCASKNBY-UHFFFAOYSA-N

Smiles

c12c3c(ccc1cc1ccccc1c2)cccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 10mg/kg (10mg/kg)   Journal of the National Cancer Institute. Vol. 1, Pg. 225, 1940.
rat LD50 intravenous > 200mg/kg (200mg/kg)   Molecular Pharmacology. Vol. 4, Pg. 427, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 84 deg C   EXP
Boiling Point 437.6 deg C   EXP
log P (octanol-water) 5.76 (none)   EXP
Water Solubility 0.0094 mg/L 25 EXP
Vapor Pressure 2.10E-07 mm Hg 25 EXP
Henry's Law Constant 1.20E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 5.00E-11 cm3/molecule-sec 25 EST

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