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Substance Name: Chromotrope 2B
RN: 548-80-1
UNII: 81Y8BW5764
InChIKey: AXUUHWJXDWBCSG-QIKYXUGXSA-L

Molecular Formula

  • C16-H11-N3-O10-S2.2Na

Molecular Weight

  • 513.37
 
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Names and Synonyms

Name of Substance

  • Chromotrope 2B

Synonyms

  • C.I. 16575
  • C.I. Acid Red 176 (VAN)
  • Chromatrope 2B
  • Chromotrope 2B
  • Chromotrope Red 4B
  • EINECS 208-959-9
  • Khromotrop 2B
  • Naphtocard Fast Red 3B
  • NSC 45542
  • p-Nitrobenzeneazochromotropic acid sodium salt
  • UNII-81Y8BW5764

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-((4-nitrophenyl)azo)-, disodium salt
  • 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-(2-(4-nitrophenyl)diazenyl)-, sodium salt (1:2)
  • C.I. Acid Red 176, disodium salt (8CI)
  • Disodium 4,5-dihydroxy-3-(p-nitrophenylazo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 548-80-1

FDA UNII

  • 81Y8BW5764

System Generated Number

  • 0000548801

Molecular Formulas

Molecular Formula

  • C16-H11-N3-O10-S2.2Na

Molecular Formula Fragments

  • C16-H11-N3-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H11N3O10S2.2Na/c20-12-7-11(30(24,25)26)5-8-6-13(31(27,28)29)15(16(21)14(8)12)18-17-9-1-3-10(4-2-9)19(22)23;;/h1-7,20-21H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b18-17+;;

InChIKey

AXUUHWJXDWBCSG-QIKYXUGXSA-L

Smiles

c12c(O)c(\N=N\c3ccc([N+]([O-])=O)cc3)c(S(=O)(=O)[O-])cc1cc(S(=O)(=O)[O-])cc2O.[Na+].[Na+]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.320 (none)   EST
Atmospheric OH Rate Constant 3.35E-12 cm3/molecule-sec 25 EST

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