3-(5-Fluoro-2-methoxyphenyl)-3-oxopropanenitrile
[CAS# 887591-34-6]

Identification

• Name: 3-(5-Fluoro-2-methoxyphenyl)-3-oxopropanenitrile
• Synonyms: 2-CYANO-1-(5-FLUORO-2-METHOXY-PHENYL)-ETHANONE; 3-(5-Fluor-2-methoxyphenyl)-3-oxopropannitril; 3-(5-Fluoro-2-methoxyphenyl)-3-oxopropanenitrile
• Molecular Formula: C₁₀H₈FNO₂
• Molecular Weight: 193.17
• CAS Registry Number: 887591-34-6
• SMILES: COc1ccc(cc1C(=O)CC#N)F
• InChI: 1S/C10H8FNO2/c1-14-10-3-2-7(11)6-8(10)9(13)4-5-12/h2-3,6H,4H2,1H3
• InChIKey: KVJUSBRCTUTJAO-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 352.7±32.0°C at 760 mmHg (Cal.)
• Flash point: 167.1±25.1°C (Cal.)
• Refractive index: 1.509 (Cal.)