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CAS 12769-09-4

:

Benzoic acid, 2-chloro-5-[2-[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-1H-pyrazol-4-yl]diazenyl]-4-sulfo-, sodium salt (1:3)

Description:
Benzoic acid, 2-chloro-5-[2-[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-1H-pyrazol-4-yl]diazenyl]-4-sulfo-, sodium salt (1:3), with CAS number 12769-09-4, is a complex organic compound characterized by its sulfonic acid and sodium salt functionalities. This compound features a benzoic acid core, which contributes to its acidity and potential applications in various chemical reactions. The presence of multiple functional groups, including chloro, sulfo, and diazenyl moieties, suggests that it may exhibit unique reactivity and solubility properties, making it suitable for use in pharmaceuticals, dyes, or as a reagent in organic synthesis. Its structure indicates potential for interactions with biological systems, possibly influencing its efficacy and safety profiles in medicinal applications. Additionally, the sodium salt form enhances its solubility in aqueous environments, which is advantageous for various applications, including those in biological and environmental contexts. Overall, this compound's intricate structure and functional diversity make it a subject of interest in both research and industrial applications.
Formula:C19H17ClN4O12S3·3Na
InChI:InChI=1S/C19H17ClN4O12S3.3Na/c1-10-17(22-21-15-8-13(19(26)27)14(20)9-16(15)38(30,31)32)18(25)24(23-10)11-2-4-12(5-3-11)37(28,29)7-6-36-39(33,34)35;;;/h2-5,8-9,17H,6-7H2,1H3,(H,26,27)(H,30,31,32)(H,33,34,35);;;
InChI key:InChIKey=ZJYMTWUCJTYSHV-UHFFFAOYSA-N
SMILES:O=C1N(N=C(C)C1N=NC2=C(S(=O)(=O)O)C=C(Cl)C(C(O)=O)=C2)C3=CC=C(S(CCOS(=O)(=O)O)(=O)=O)C=C3.[Na]
Synonyms:
  • Remazol Yellow GGL
  • C.I. Reactive Yellow 13
  • Sumifix Yellow 2GL
  • Benzoic acid, 2-chloro-5-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-1H-pyrazol-4-yl]azo]-4-sulfo-, trisodium salt
  • Benzoic acid, 2-chloro-5-[2-[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-1H-pyrazol-4-yl]diazenyl]-4-sulfo-, sodium salt (1:3)
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