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Substance Name: Acid blue 193
RN: 12392-64-2
InChIKey: LCZPIYCNOWJWPQ-YAKLRDMXSA-H

Classification Code

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

Molecular Formula

  • C40-H22-Cr-N4-O10-S2.H.2Na

Molecular Weight

  • 880.74
 
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Names and Synonyms

Name of Substance

  • Acid blue 193

Synonyms

  • EC 235-628-6
  • EINECS 235-628-6

Systematic Names

  • Chromate(3-), bis(3-(hydroxy-kappaO)-4-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-1-naphthalenesulfonato(3-))-, sodium hydrogen (1:2:1)
  • Chromate(3-), bis(3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-1-naphthalenesulfonato(3-))-, disodium hydrogen
  • Disodium hydrogen bis(3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)naphthalene-1-sulphonato(3-))chromate(3-)

Registry Numbers

CAS Registry Number

  • 12392-64-2

Other Registry Numbers

  • 117216-04-3
  • 51312-00-6
  • 6505-92-6

Related Registry Number

  • 19154-31-5 (Parent)

System Generated Number

  • 0012392642

Molecular Formulas

Molecular Formula

  • C40-H22-Cr-N4-O10-S2.H.2Na

Molecular Formula Fragments

  • C40-H22-Cr-N4-O10-S2
  • COMPONENT
  • H
  • Na

Structure Descriptors

InChI

1S/2C20H14N2O5S.Cr.2Na/c2*23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;;;/h2*1-11,23-24H,(H,25,26,27);;;/q;;+3;2*+1/p-6/b2*22-21+;;;

InChIKey

LCZPIYCNOWJWPQ-YAKLRDMXSA-H

Smiles

c12c3c(c(S(=O)(=O)[O-])cc1[O-][Cr+3]([O-]c1c(c4c(cccc4)c(c1)S(=O)(=O)[O-])\N=N\c1c4c(ccc1[O-])cccc4)[O-]c1c(N=N2)c2c(cc1)cccc2)cccc3.[Na+].[Na+]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 7.410 (none)   EST
Water Solubility 2.13E-07 mg/L 25 EST
Vapor Pressure 1.52E-40 mm Hg 25 EST
Atmospheric OH Rate Constant 4.01E-11 cm3/molecule-sec 25 EST

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