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Substance Name: Pigment Yellow 191
RN: 129423-54-7
UNII: C08B82I20P
InChIKey: IAOFMMGWUKSXJG-RZLHGTIFSA-L

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C17-H15-Cl-N4-O7-S2.Ca

Molecular Weight

  • 524.9737
 
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Names and Synonyms

Name of Substance

  • Pigment Yellow 191

Synonym

  • UNII-C08B82I20P

Systematic Name

  • Benzenesulfonic acid, 4-chloro-2-(2-(4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)-5-methyl-, calcium salt (1:1)

Superlist Name

  • C.I. Pigment Yellow 191

Registry Numbers

CAS Registry Number

  • 129423-54-7

FDA UNII

  • C08B82I20P

Other Registry Number

  • 193226-83-4

System Generated Number

  • 0129423547

Structure Descriptors

InChI

1S/C17H15ClN4O7S2.Ca/c1-9-6-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-4-3-5-12(7-11)30(24,25)26;/h3-8,16H,1-2H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b20-19+;

InChIKey

IAOFMMGWUKSXJG-RZLHGTIFSA-L

Smiles

Cc1cc(c(cc1Cl)/N=N/C2C(=NN(C2=O)c3cccc(c3)S(=O)(=O)[O-])C)S(=O)(=O)[O-].[Ca+2]