4-[4-[5-[1-(4-Carboxyphenyl)-1,5-Dihydro-3-Methyl-5-Oxo-4H-Pyrazole-4-Ylidene]-1,3-Pentadienyl]-5-Hydroxy-3-Methyl-1H-Pyrazole-1-Yl]Benzoic Acid
[CAS# 64137-49-1]

Identification

• Name: 4-[4-[5-[1-(4-Carboxyphenyl)-1,5-Dihydro-3-Methyl-5-Oxo-4H-Pyrazole-4-Ylidene]-1,3-Pentadienyl]-5-Hydroxy-3-Methyl-1H-Pyrazole-1-Yl]Benzoic Acid
• Synonyms: 4-[4-[(1E,3E,5E)-5-[1-(4-Carboxyphenyl)-3-Methyl-5-Oxo-Pyrazol-4-Ylidene]Penta-1,3-Dienyl]-3-Methyl-5-Oxo-2H-Pyrazol-1-Yl]Benzoic Acid; 4-[4-[(1E,3E,5E)-5-[1-(4-Carboxyphenyl)-3-Methyl-5-Oxo-4-Pyrazolylidene]Penta-1,3-Dienyl]-3-Methyl-5-Oxo-2H-Pyrazol-1-Yl]Benzoic Acid; 4-[4-[(1E,3E,5E)-5-[1-(4-Carboxyphenyl)-5-Keto-3-Methyl-Pyrazol-4-Ylidene]Penta-1,3-Dienyl]-5-Keto-3-Methyl-2H-Pyrazol-1-Yl]Benzoic Acid
• Molecular Formula: C₂₇H₂₂N₄O₆
• Molecular Weight: 498.49
• CAS Registry Number: 64137-49-1
• EINECS: 264-702-0
• SMILES: C4=C(N1NC(=C(C1=O)\C=C\C=C\C=C3/C(=NN(C2=CC=C(C=C2)C(O)=O)C3=O)C)C)C=CC(=C4)C(O)=O
• InChI: 1S/C27H22N4O6/c1-16-22(24(32)30(28-16)20-12-8-18(9-13-20)26(34)35)6-4-3-5-7-23-17(2)29-31(25(23)33)21-14-10-19(11-15-21)27(36)37/h3-15,28H,1-2H3,(H,34,35)(H,36,37)/b5-3+,6-4+,23-7+
• InChIKey: NBEUSCGCFAKPOW-QBQJADJMSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 691.223°C at 760 mmHg (Cal.)
• Flash point: 371.838°C (Cal.)