Calcium 2-[3-(4-Chlorophenyl)-1-Phenylpyrazol-4-Yl]Acetic Acid
[CAS# 75821-71-5]

Identification

• Name: Calcium 2-[3-(4-Chlorophenyl)-1-Phenylpyrazol-4-Yl]Acetic Acid
• Synonyms: Calcium 2-[3-(4-Chlorophenyl)-1-Phenyl-Pyrazol-4-Yl]Acetic Acid; Calcium 2-[3-(4-Chlorophenyl)-1-Phenyl-4-Pyrazolyl]Acetic Acid; Calcium 2-[3-(4-Chlorophenyl)-1-Phenyl-Pyrazol-4-Yl]Ethanoic Acid
• Molecular Formula: C₃₄H₂₆CaCl₂N₄O₄
• Molecular Weight: 665.59
• CAS Registry Number: 75821-71-5
• EINECS: 278-322-8
• SMILES: C1=C(C(=N[N]1C2=CC=CC=C2)C3=CC=C(Cl)C=C3)CC(O)=O.C(C4=C[N](N=C4C5=CC=C(Cl)C=C5)C6=CC=CC=C6)C(O)=O.[Ca++]
• InChI: 1S/2C17H13ClN2O2.Ca/c2*18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15;/h2*1-9,11H,10H2,(H,21,22);/q;;+2
• InChIKey: CAQGVXNKMLYRMF-UHFFFAOYSA-N

Properties

• Boiling point: 525.1°C at 760 mmHg (Cal.)
• Flash point: 271.4°C (Cal.)