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CAS 12777-30-9

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Benzenesulfonic acid, 2-[2-[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-[[(3-chloro-1-oxido-1,2,4-benzotriazin-7-yl)carbonyl]amino]-, sodium salt (1:1)

Description:
Benzenesulfonic acid, 2-[2-[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-[[(3-chloro-1-oxido-1,2,4-benzotriazin-7-yl)carbonyl]amino]-, sodium salt (1:1), with CAS number 12777-30-9, is a complex organic compound characterized by its sulfonic acid group, which imparts strong acidity and solubility in water. The presence of multiple functional groups, including diazenyl and carbonyl moieties, suggests potential reactivity and applications in dye chemistry or as a pharmaceutical intermediate. The compound features a sodium salt form, enhancing its stability and solubility in aqueous environments. Its structure indicates potential biological activity, possibly related to its interactions with various biological targets. The chlorinated aromatic components may contribute to its photostability and reactivity, making it suitable for specific applications in organic synthesis or as a dye. Overall, this compound exemplifies the intricate relationship between structure and function in organic chemistry, particularly in the context of sulfonic acids and their derivatives.
Formula:C25H18Cl2N8O6S·Na
InChI:InChI=1S/C25H18Cl2N8O6S.Na/c1-12-4-3-5-16(26)22(12)34-24(37)21(13(2)32-34)31-30-18-11-15(7-9-20(18)42(39,40)41)28-23(36)14-6-8-17-19(10-14)35(38)33-25(27)29-17;/h3-11,21H,1-2H3,(H,28,36)(H,39,40,41);
InChI key:InChIKey=LYMKNTGDCYIGRQ-UHFFFAOYSA-N
SMILES:O=C1N(N=C(C)C1N=NC2=C(S(=O)(=O)O)C=CC(NC(=O)C3=CC4=C(C=C3)N=C(Cl)N=N4=O)=C2)C5=C(C)C=CC=C5Cl.[Na]
Synonyms:
  • Benzenesulfonic acid, 4-[[(3-chloro-1,2,4-benzotriazin-7-yl)carbonyl]amino]-2-[[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, N4-oxide, monosodium salt
  • 1,2,4-Benzotriazine, benzenesulfonic acid deriv.
  • Benzenesulfonic acid, 2-[2-[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-[[(3-chloro-1-oxido-1,2,4-benzotriazin-7-yl)carbonyl]amino]-, sodium salt (1:1)
  • Benzenesulfonic acid, 2-[[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-[[(3-chloro-1-oxido-1,2,4-benzotriazin-7-yl)carbonyl]amino]-, monosodium salt
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