4-[3-(3-Chloro-5-fluorophenyl)propanoyl]benzonitrile
[CAS# 898750-28-2]

Identification

• Name: 4-[3-(3-Chloro-5-fluorophenyl)propanoyl]benzonitrile
• Synonyms: 3-(3-chloro-5-fluorophenyl)-4'-cyanopropiophenone
• Molecular Formula: C₁₆H₁₁ClFNO
• Molecular Weight: 287.72
• CAS Registry Number: 898750-28-2
• SMILES: Fc2cc(CCC(=O)c1ccc(C#N)cc1)cc(Cl)c2
• InChI: 1S/C16H11ClFNO/c17-14-7-12(8-15(18)9-14)3-6-16(20)13-4-1-11(10-19)2-5-13/h1-2,4-5,7-9H,3,6H2
• InChIKey: JHWQKEJUFBIOAQ-UHFFFAOYSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 455.004°C at 760 mmHg (Cal.)
• Flash point: 228.978°C (Cal.)
• Refractive index: 1.59 (Cal.)