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Substance Name: Chrysamminic acid
RN: 517-92-0
UNII: W9181275ZS
InChIKey: YYOOOMNEONKALI-UHFFFAOYSA-N

Molecular Formula

  • C14-H4-N4-O12

Molecular Weight

  • 420.202
 
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Names and Synonyms

Name of Substance

  • Chrysamminic acid

Synonyms

  • 1,8-Dihydroxy-2,4,5,7-tetranitroanthraquinone
  • 2,4,5,7-Tetranitrochrysazin
  • Chrysamminic acid
  • EINECS 208-246-2
  • NSC 9046
  • UNII-W9181275ZS

Systematic Names

  • 1,8-Dihydroxy-2,4,5,7-tetranitroanthraquinone
  • 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5,7-tetranitro- (9CI)
  • Anthraquinone, 1,8-dihydroxy-2,4,5,7-tetranitro- (8CI)

Superlist Names

  • 1,8-Dihydroxy-2,4,5,7-tetranitroanthraquinone (chrysamminic acid)
  • 1,8-Dihydroxy-2,4,5,7-tetranitroanthraquinone (chrysamminic acid) [Forbidden]

Registry Numbers

CAS Registry Number

  • 517-92-0

FDA UNII

  • W9181275ZS

System Generated Number

  • 0000517920

Structure Descriptors

InChI

1S/C14H4N4O12/c19-11-5(17(27)28)1-3(15(23)24)7-9(11)14(22)10-8(13(7)21)4(16(25)26)2-6(12(10)20)18(29)30/h1-2,19-20H

InChIKey

YYOOOMNEONKALI-UHFFFAOYSA-N

Smiles

c12c(C(c3c(c([N+](=O)[O-])cc(c3C2=O)[N+](=O)[O-])O)=O)c(c([N+](=O)[O-])cc1[N+](=O)[O-])O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.360 (none)   EST
Atmospheric OH Rate Constant 2.88E-13 cm3/molecule-sec 25 EST

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