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Substance Name: 1-Naphthalenesulfonic acid, 6-(2-(5-chloro-2-hydroxy-3-sulfophenyl)diazenyl)-5-hydroxy-, sodium salt (1:2)
RN: 3624-68-8
InChIKey: UVDODHCPLWXDSI-OCAXGFLYSA-L

Molecular Formula

  • C16-H11-Cl-N2-O8-S2.2Na

Molecular Weight

  • 502.818
 
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Names and Synonyms

Synonyms

  • C.I. Mordant Blue 9, disodium salt
  • EINECS 222-828-3

Systematic Names

  • 1-Naphthalenesulfonic acid, 6-((5-chloro-2-hydroxy-3-sulfophenyl)azo)-5-hydroxy-, disodium salt
  • 1-Naphthalenesulfonic acid, 6-(2-(5-chloro-2-hydroxy-3-sulfophenyl)diazenyl)-5-hydroxy-, sodium salt (1:2)
  • Sodium 6-(5-chloro-2-hydroxy-4-sulphophenylazo)-5-hydroxynaphthalene-1-sulphonate

Registry Numbers

CAS Registry Number

  • 3624-68-8

System Generated Number

  • 0003624688

Molecular Formulas

Molecular Formula

  • C16-H11-Cl-N2-O8-S2.2Na

Molecular Formula Fragments

  • C16-H11-Cl-N2-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H11ClN2O8S2.2Na/c17-8-6-12(16(21)14(7-8)29(25,26)27)19-18-11-5-4-9-10(15(11)20)2-1-3-13(9)28(22,23)24;;/h1-7,20-21H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b19-18-;;

InChIKey

UVDODHCPLWXDSI-OCAXGFLYSA-L

Smiles

c12c(c(c(\N=N/c3c(c(cc(c3)Cl)S(=O)(=O)[O-])O)cc2)O)cccc1S(=O)(=O)[O-].[Na+].[Na+]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.310 (none)   EST
Water Solubility 1790 mg/L 25 EST
Vapor Pressure 9.37E-26 mm Hg 25 EST
Atmospheric OH Rate Constant 4.02E-12 cm3/molecule-sec 25 EST

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