2-[3-(3-Chloro-5-fluorophenyl)propanoyl]benzonitrile
[CAS# 898750-22-6]

Identification

• Name: 2-[3-(3-Chloro-5-fluorophenyl)propanoyl]benzonitrile
• Synonyms: 3-(3-chloro-5-fluorophenyl)-2'-cyanopropiophenone
• Molecular Formula: C₁₆H₁₁ClFNO
• Molecular Weight: 287.72
• CAS Registry Number: 898750-22-6
• SMILES: Fc2cc(CCC(=O)c1ccccc1C#N)cc(Cl)c2
• InChI: 1S/C16H11ClFNO/c17-13-7-11(8-14(18)9-13)5-6-16(20)15-4-2-1-3-12(15)10-19/h1-4,7-9H,5-6H2
• InChIKey: PEJQHOXINKWNTG-UHFFFAOYSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 450.555°C at 760 mmHg (Cal.)
• Flash point: 226.288°C (Cal.)
• Refractive index: 1.59 (Cal.)