4-[4-[[1-(4-Carboxyphenyl)-1,5-Dihydro-3-Methyl-5-Oxo-4H-Pyrazole-4-Ylidene]Methyl]-5-Hydroxy-3-Methyl-1H-Pyrazole-1-Yl]Benzoic Acid
[CAS# 64137-48-0]

Identification

• Name: 4-[4-[[1-(4-Carboxyphenyl)-1,5-Dihydro-3-Methyl-5-Oxo-4H-Pyrazole-4-Ylidene]Methyl]-5-Hydroxy-3-Methyl-1H-Pyrazole-1-Yl]Benzoic Acid
• Synonyms: 4-[4-[(Z)-[1-(4-Carboxyphenyl)-3-Methyl-5-Oxo-Pyrazol-4-Ylidene]Methyl]-3-Methyl-5-Oxo-2H-Pyrazol-1-Yl]Benzoic Acid; 4-[4-[(Z)-[1-(4-Carboxyphenyl)-3-Methyl-5-Oxo-4-Pyrazolylidene]Methyl]-3-Methyl-5-Oxo-2H-Pyrazol-1-Yl]Benzoic Acid; 4-[4-[(Z)-[1-(4-Carboxyphenyl)-5-Keto-3-Methyl-Pyrazol-4-Ylidene]Methyl]-5-Keto-3-Methyl-2H-Pyrazol-1-Yl]Benzoic Acid
• Molecular Formula: C₂₃H₁₈N₄O₆
• Molecular Weight: 446.42
• CAS Registry Number: 64137-48-0
• EINECS: 264-701-5
• SMILES: C4=C(N1NC(=C(C1=O)/C=C2/C(=NN(C2=O)C3=CC=C(C=C3)C(O)=O)C)C)C=CC(=C4)C(O)=O
• InChI: 1S/C23H18N4O6/c1-12-18(20(28)26(24-12)16-7-3-14(4-8-16)22(30)31)11-19-13(2)25-27(21(19)29)17-9-5-15(6-10-17)23(32)33/h3-11,24H,1-2H3,(H,30,31)(H,32,33)/b19-11-
• InChIKey: QCYJUMSSPJLBSQ-ODLFYWEKSA-N

Properties

• Density: 1.481g/cm³ (Cal.)
• Boiling point: 637.281°C at 760 mmHg (Cal.)
• Flash point: 339.215°C (Cal.)