Chrome azurol S

C23H13Cl2Na3O9SCAS 1667-99-8605.28 g/mol

OHO−OClSO−OOClO−OONa+Na+Na+
AlkeneAryl halideCarboxylic acidKetonePhenolSulfonic acid

Properties

Molecular formula
C23H13Cl2Na3O9S
Molar mass
605.28 g/mol
Exact mass
603.9350 Da
logP
3.15Crippen estimate
Polar surface area
166.3 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1667-99-8
SMILES
CC1=CC(=C(c2cc(C)c(O)c(C([O-])=O)c2)c2c(Cl)ccc(S([O-])(=O)=O)c2Cl)C=C(C([O-])=O)C1=O.[Na+].[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

12 names
  • Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl]-2-hydroxy-3-methyl-, sodium salt (1:3)
  • C.I. Mordant Blue 29, trisodium salt
  • Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl]-2-hydroxy-3-methyl-, trisodium salt
  • C.I. 43825
  • Antracromo azurol BS
  • Chromine sky blue S
  • Chromoxane pure blue BLD
  • Alberon
  • C.I. Mordant blue 29
  • Chrome azurole S
  • Chromazurine S
  • Mordant blue 29

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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