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CAS 13164-93-7

:

Benzoic acid, 5-[2-[4′-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:2)

Description:
Benzoic acid, 5-[2-[4′-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:2), commonly referred to by its CAS number 13164-93-7, is a complex organic compound characterized by its azo dye structure. This substance features multiple aromatic rings and functional groups, including a sulfonic acid group, which enhances its solubility in water. The presence of the sodium salt form indicates that it is likely used in applications requiring increased solubility and stability in aqueous environments. The compound exhibits properties typical of azo dyes, such as vivid coloration and potential applications in textiles and biological staining. Additionally, the presence of hydroxyl and carboxylic acid groups suggests potential for hydrogen bonding, influencing its reactivity and interaction with other molecules. Overall, this compound is notable for its structural complexity and potential utility in various chemical and industrial applications.
Formula:C29H22N6O7S·2Na
InChI:InChI=1S/C29H22N6O7S.2Na/c1-17-27(28(37)35(34-17)23-11-13-24(14-12-23)43(40,41)42)33-31-21-8-4-19(5-9-21)18-2-6-20(7-3-18)30-32-22-10-15-26(36)25(16-22)29(38)39;;/h2-16,27,36H,1H3,(H,38,39)(H,40,41,42);;
InChI key:InChIKey=PQTVBRVDEVVCKX-UHFFFAOYSA-N
SMILES:O=C1N(N=C(C)C1N=NC2=CC=C(C=C2)C3=CC=C(N=NC4=CC(C(O)=O)=C(O)C=C4)C=C3)C5=CC=C(S(=O)(=O)O)C=C5.[Na]
Synonyms:
  • Benzoic acid, 5-[[4′-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo][1,1′-biphenyl]-4-yl]azo]-2-hydroxy-, disodium salt
  • Salicylic acid, 5-[[4′-[[3-methyl-5-oxo-1-(p-sulfophenyl)-2-pyrazolin-4-yl]azo]-4-biphenylyl]azo]-, disodium salt
  • Benzoic acid, 5-[2-[4′-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:2)
  • C.I. 22375
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