3-[3-(4-Bromophenyl)-1-(4-chlorophenyl)-1H-pyrazol-4-yl]propanoic acid
[CAS# 870704-04-4]

Identification

• Name: 3-[3-(4-Bromophenyl)-1-(4-chlorophenyl)-1H-pyrazol-4-yl]propanoic acid
• Synonyms: 3-(4-Bromophenyl)-1-(4-chlorophenyl)pyrazole-4-propionic acid; 3-(4-Bromphenyl)-1-(4-chlorphenyl)-pyrazol-4-propions??ure; 3-(4-Bromphenyl)-1-(4-chlorphenyl)-pyrazol-4-propionsäure
• Molecular Formula: C₁₈H₁₄BrClN₂O₂
• Molecular Weight: 405.67
• CAS Registry Number: 870704-04-4
• SMILES: C1=CC(=CC=C1C2=NN(C=C2CCC(=O)O)C3=CC=C(C=C3)Cl)Br
• InChI: 1S/C18H14BrClN2O2/c19-14-4-1-12(2-5-14)18-13(3-10-17(23)24)11-22(21-18)16-8-6-15(20)7-9-16/h1-2,4-9,11H,3,10H2,(H,23,24)
• InChIKey: ZCBWGEKVGZXGBI-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 566.9±50.0°C at 760 mmHg (Cal.)
• Flash point: 296.7±30.1°C (Cal.)
• Refractive index: 1.656 (Cal.)