4-[3-(4-Chlorophenyl)propanoyl]benzonitrile
[CAS# 898787-70-7]

Identification

• Name: 4-[3-(4-Chlorophenyl)propanoyl]benzonitrile
• Synonyms: 3-(4-chlorophenyl)-4'-cyanopropiophenone
• Molecular Formula: C₁₆H₁₂ClNO
• Molecular Weight: 269.73
• CAS Registry Number: 898787-70-7
• SMILES: Clc2ccc(CCC(=O)c1ccc(C#N)cc1)cc2
• InChI: 1S/C16H12ClNO/c17-15-8-3-12(4-9-15)5-10-16(19)14-6-1-13(11-18)2-7-14/h1-4,6-9H,5,10H2
• InChIKey: ZBMOXMDLHXZSRK-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.)