4-[[4-[[(3,6-Dichloropyridazin-4-Yl)Carbonyl]Amino]-2-Sulphophenyl]Azo]-4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
[CAS# 68399-88-2]

Identification

• Name: 4-[[4-[[(3,6-Dichloropyridazin-4-Yl)Carbonyl]Amino]-2-Sulphophenyl]Azo]-4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
• Synonyms: 4-[4-[(3,6-Dichloropyridazine-4-Carbonyl)Amino]-2-Sulfo-Phenyl]Azo-5-Oxo-1-(4-Sulfophenyl)-4H-Pyrazole-3-Carboxylic Acid; 4-[4-[[(3,6-Dichloro-4-Pyridazinyl)-Oxomethyl]Amino]-2-Sulfophenyl]Azo-5-Oxo-1-(4-Sulfophenyl)-4H-Pyrazole-3-Carboxylic Acid; 4-[4-[(3,6-Dichloropyridazine-4-Carbonyl)Amino]-2-Sulfo-Phenyl]Azo-5-Keto-1-(4-Sulfophenyl)-4H-Pyrazole-3-Carboxylic Acid
• Molecular Formula: C₂₁H₁₃Cl₂N₇O₁₀S₂
• Molecular Weight: 658.40
• CAS Registry Number: 68399-88-2
• EINECS: 269-995-9
• SMILES: C1=C(N=NC(=C1C(=O)NC2=CC(=C(C=C2)N=NC4C(=O)N(C3=CC=C(C=C3)[S](=O)(=O)O)N=C4C(=O)O)[S](=O)(=O)O)Cl)Cl
• InChI: 1S/C21H13Cl2N7O10S2/c22-15-8-12(18(23)28-26-15)19(31)24-9-1-6-13(14(7-9)42(38,39)40)25-27-16-17(21(33)34)29-30(20(16)32)10-2-4-11(5-3-10)41(35,36)37/h1-8,16H,(H,24,31)(H,33,34)(H,35,36,37)(H,38,39,40)
• InChIKey: QMDPJAHMESDXOK-UHFFFAOYSA-N

Properties

• Density: 1.95g/cm³ (Cal.)