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Substance Name: Direct Black 3
RN: 6227-04-9
UNII: 88C0AB64K7
InChIKey: DVEWDGYYKWOVMV-BBEMJUQRSA-M

Classification Codes

  • Carcinogens
  • Coloring Agents
  • Noxae

Molecular Formula

  • C26-H18-N5-O4-S.Na

Molecular Weight

  • 519.5152
 
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Names and Synonyms

Name of Substance

  • Direct Black 3

Synonyms

  • 2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-3-((4-(phenylazo)-1-naphthalenyl)azo)-, monosodium salt
  • 2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-3-(2-(4-(2-phenyldiazenyl)-1-naphthalenyl)diazenyl)-, sodium salt (1:1)
  • Benzo neutral grey RR
  • C.I. 27710
  • C.i. direct Black 3
  • C.i. direct Black 3, monosodium salt
  • CI 27710
  • Direct Black 3
  • Neutral grey GG
  • UNII-88C0AB64K7

Registry Numbers

CAS Registry Number

  • 6227-04-9

FDA UNII

  • 88C0AB64K7

System Generated Number

  • 0006227049

Structure Descriptors

InChI

1S/C26H19N5O4S.Na/c27-17-11-10-16-14-24(36(33,34)35)25(26(32)21(16)15-17)31-30-23-13-12-22(19-8-4-5-9-20(19)23)29-28-18-6-2-1-3-7-18;/h1-15,32H,27H2,(H,33,34,35);/q;+1/p-1/b29-28+,31-30+;

InChIKey

DVEWDGYYKWOVMV-BBEMJUQRSA-M

Smiles

[Na+].Nc1ccc2cc(c(N=Nc3ccc(N=Nc4ccccc4)c5ccccc35)c(O)c2c1)S(=O)(=O)[O-]