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Substance Name: Benzanthrone
RN: 82-05-3
UNII: LP5P3RR8QN
InChIKey: HUKPVYBUJRAUAG-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C17-H10-O

Molecular Weight

  • 230.265
 
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Names and Synonyms

Name of Substance

  • Benzanthrone

Synonyms

  • 1,9-Benzanthrone
  • 7-Oxobenz(de)anthracene
  • 7H-Benz(de)anthracen-7-one
  • 7H-Benz(de)anthracene-7-one
  • 7H-Benzo(de)anthracen-7-one
  • Benzanthrenone
  • Benzanthrone
  • Benzoanthrone
  • CCRIS 3173
  • DYE, benzanthrone
  • EINECS 201-393-3
  • HSDB 5245
  • Mesobenzanthrone
  • MS-Benzanthrone
  • Naphthanthrone
  • Naphthanthrone (VAN)
  • NSC 5189
  • NSC 631641
  • UNII-LP5P3RR8QN

Systematic Names

  • 7H-Benz(de)anthracen-7-one
  • Benz(de)anthracen-7-one

Superlist Name

  • Benzanthrone

Registry Numbers

CAS Registry Number

  • 82-05-3

FDA UNII

  • LP5P3RR8QN

Other Registry Numbers

  • 116495-96-6
  • 358773-23-6
  • 57608-35-2

System Generated Number

  • 0000082053

Structure Descriptors

InChI

1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H

InChIKey

HUKPVYBUJRAUAG-UHFFFAOYSA-N

Smiles

c12c3c4c(cccc4)C(c1cccc2ccc3)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 290mg/kg (290mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 137, 1977.
rat LD50 intraperitoneal 1500mg/kg (1500mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 137, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 170 deg C   EXP
log P (octanol-water) 4.81 (none)   EXP
Water Solubility 0.240 mg/L 25 EST
Vapor Pressure 2.21E-07 mm Hg 25 EST
Henry's Law Constant 6.61E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.80E-11 cm3/molecule-sec 25 EST

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