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Substance Name: 1-Chloroanthraquinone
RN: 82-44-0
UNII: 96S5SQV15V
InChIKey: BOCJQSFSGAZAPQ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C14-H7-Cl-O2

Molecular Weight

  • 242.66
 
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Names and Synonyms

Name of Substance

  • 1-Chloroanthraquinone

Synonyms

  • 1-Chloranthrachinon
  • 1-Chloranthrachinon [Czech]
  • 1-Chloro-9,10-anthraquinone
  • 1-Chloroanthraquinone
  • 4-07-00-02559 (Beilstein Handbook Reference)
  • 9,10-Anthracenedione, 1-chloro-
  • AI3-38116
  • alpha-Chloroanthraquinone
  • alpha-Monochloroanthraquinone
  • Anthraquinone, 1-chloro-
  • BRN 1912752
  • EINECS 201-421-4
  • HSDB 2565
  • NSC 30428
  • UNII-96S5SQV15V

Systematic Names

  • 1-Chloroanthraquinone
  • 9,10-Anthracenedione, 1-chloro-
  • Anthraquinone, 1-chloro-

Registry Numbers

CAS Registry Number

  • 82-44-0

FDA UNII

  • 96S5SQV15V

System Generated Number

  • 0000082440

Structure Descriptors

InChI

1S/C14H7ClO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H

InChIKey

BOCJQSFSGAZAPQ-UHFFFAOYSA-N

Smiles

c12c(C(c3ccccc3C1=O)=O)cccc2Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03287,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 163 deg C   EXP
log P (octanol-water) 3.990 (none)   EST
Water Solubility 1.680 mg/L 25 EST
Vapor Pressure 8.74E-07 mm Hg 25 EST
Henry's Law Constant 2.36E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.28E-12 cm3/molecule-sec 25 EST

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