2-[3-(4-Chlorophenyl)propanoyl]benzonitrile
[CAS# 898787-66-1]

Identification

• Name: 2-[3-(4-Chlorophenyl)propanoyl]benzonitrile
• Synonyms: 3-(4-chlorophenyl)-2'-cyanopropiophenone
• Molecular Formula: C₁₆H₁₂ClNO
• Molecular Weight: 269.73
• CAS Registry Number: 898787-66-1
• SMILES: Clc2ccc(CCC(=O)c1ccccc1C#N)cc2
• InChI: 1S/C16H12ClNO/c17-14-8-5-12(6-9-14)7-10-16(19)15-4-2-1-3-13(15)11-18/h1-6,8-9H,7,10H2
• InChIKey: SJPNTCAOOICDSN-UHFFFAOYSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 452.059°C at 760 mmHg (Cal.)
• Flash point: 227.197°C (Cal.)
• Refractive index: 1.605 (Cal.)