4,5-Dihydro-5-Oxo-4-[(3-Phosphonophenyl)Azo]-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
[CAS# 77394-55-9]

Identification

• Name: 4,5-Dihydro-5-Oxo-4-[(3-Phosphonophenyl)Azo]-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
• Synonyms: 5-Oxo-4-(3-Phosphonophenyl)Azo-1-(4-Sulfophenyl)-4H-Pyrazole-3-Carboxylic Acid; 5-Keto-4-(3-Phosphonophenyl)Azo-1-(4-Sulfophenyl)-4H-Pyrazole-3-Carboxylic Acid; 4,5-Dihydro-5-Oxo-4-((3-Phosphonophenyl)Azo)-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
• Molecular Formula: C₁₆H₁₃N₄O₉PS
• Molecular Weight: 468.33
• CAS Registry Number: 77394-55-9
• EINECS: 278-682-6
• SMILES: C3=C(N=NC1C(=O)N(N=C1C(=O)O)C2=CC=C([S](=O)(=O)O)C=C2)C=CC=C3[P](=O)(O)O
• InChI: 1S/C16H13N4O9PS/c21-15-13(18-17-9-2-1-3-11(8-9)30(24,25)26)14(16(22)23)19-20(15)10-4-6-12(7-5-10)31(27,28)29/h1-8,13H,(H,22,23)(H2,24,25,26)(H,27,28,29)
• InChIKey: UFOWHPDKJWPTMS-UHFFFAOYSA-N

Properties

• Density: 1.866g/cm³ (Cal.)