2-{[(2-Chloro-4-{[1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-hydroxyphenyl)sulfonyl]amino}benzoic acid
[CAS# 85750-15-8]

Identification

• Name: 2-{[(2-Chloro-4-{[1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-hydroxyphenyl)sulfonyl]amino}benzoic acid
• Synonyms: 2-[[[2-chloro-4-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-hydroxyphenyl]sulphonyl]amino]benzoic acid
• Molecular Formula: C₂₃H₁₇Cl₂N₅O₆S
• Molecular Weight: 562.38
• CAS Registry Number: 85750-15-8
• EINECS: 288-541-0
• SMILES: OC(=O)c4ccccc4NS(=O)(=O)c1cc(O)c(cc1Cl)N=NC3C(\C)=N/N(c2cc(Cl)ccc2)C3=O
• InChI: 1S/C23H17Cl2N5O6S/c1-12-21(22(32)30(28-12)14-6-4-5-13(24)9-14)27-26-18-10-16(25)20(11-19(18)31)37(35,36)29-17-8-3-2-7-15(17)23(33)34/h2-11,21,29,31H,1H3,(H,33,34)
• InChIKey: BDCNIJYXQLKZPP-UHFFFAOYSA-N

Properties

• Density: 1.63g/cm³ (Cal.)
• Boiling point: 824.69°C at 760 mmHg (Cal.)
• Flash point: 452.556°C (Cal.)