3-[3-(3-Chloro-5-fluorophenyl)propanoyl]benzonitrile
[CAS# 898750-25-9]

Identification

• Name: 3-[3-(3-Chloro-5-fluorophenyl)propanoyl]benzonitrile
• Synonyms: 3-(3-chloro-5-fluorophenyl)-3'-cyanopropiophenone
• Molecular Formula: C₁₆H₁₁ClFNO
• Molecular Weight: 287.72
• CAS Registry Number: 898750-25-9
• SMILES: Fc2cc(CCC(=O)c1cccc(C#N)c1)cc(Cl)c2
• InChI: 1S/C16H11ClFNO/c17-14-7-11(8-15(18)9-14)4-5-16(20)13-3-1-2-12(6-13)10-19/h1-3,6-9H,4-5H2
• InChIKey: GUUBEFBRCSMWRI-UHFFFAOYSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 437.392°C at 760 mmHg (Cal.)
• Flash point: 218.327°C (Cal.)
• Refractive index: 1.59 (Cal.)