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Substance Name: 1,8-Dinitro-4,5-dihydroxyanthraquinone
RN: 81-55-0
UNII: HEO6302D6D
InChIKey: GJCHQJDEYFYWER-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C14-H6-N2-O8

Molecular Weight

  • 330.207
 
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Names and Synonyms

Name of Substance

  • 1,8-Dinitro-4,5-dihydroxyanthraquinone

Synonyms

  • 0-08-00-00460 (Beilstein Handbook Reference)
  • 1,8-Dihydroxy-4,5-dinitro-9,10-anthracenedione
  • 1,8-Dihydroxy-4,5-dinitroanthraquinone
  • 1,8-Dinitro-4,5-dihydroxyanthraquinone
  • 4,5-Dihydroxy-1,8-dinitroanthraquinone
  • 4,5-Dinitrochrysazin
  • AI3-62955
  • BRN 2182054
  • CCRIS 4796
  • EINECS 201-360-3
  • NCI-C60742
  • NSC 81256
  • UNII-HEO6302D6D

Systematic Names

  • 1,8-Dihydroxy-4,5-dinitroanthraquinone
  • 9,10-Anthracenedione, 1,8-dihydroxy-4,5-dinitro-
  • Anthraquinone, 1,8-dihydroxy-4,5-dinitro-

Registry Numbers

CAS Registry Number

  • 81-55-0

FDA UNII

  • HEO6302D6D

System Generated Number

  • 0000081550

Structure Descriptors

InChI

1S/C14H6N2O8/c17-7-3-1-5(15(21)22)9-11(7)14(20)12-8(18)4-2-6(16(23)24)10(12)13(9)19/h1-4,17-18H

InChIKey

GJCHQJDEYFYWER-UHFFFAOYSA-N

Smiles

c12c(C(c3c(ccc(c3C1=O)[N+](=O)[O-])O)=O)c(ccc2[N+](=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01788,