3-(3-Fluoro-4-methoxyphenyl)-3-oxopropanenitrile
[CAS# 898786-96-4]

Identification

• Name: 3-(3-Fluoro-4-methoxyphenyl)-3-oxopropanenitrile
• Synonyms: 3-(3-Fluoro-4-methoxyphenyl)-3-oxopropanenitrile; 3-(3-Fluoro-4-methoxyphenyl)-3-oxopropanenitrile, 3-(3-Fluoro-4-methoxyphenyl)-3-oxopropionitrile; 3-(3-Fluoro-4-methoxyphenyl)-3-oxopropanenitrile; 3-(3-Fluoro-4-methoxyphenyl)-3-oxopropionitrile
• Molecular Formula: C₁₀H₈FNO₂
• Molecular Weight: 193.17
• CAS Registry Number: 898786-96-4
• SMILES: Fc1cc(ccc1OC)C(=O)CC#N
• InChI: 1S/C10H8FNO2/c1-14-10-3-2-7(6-8(10)11)9(13)4-5-12/h2-3,6H,4H2,1H3
• InChIKey: REMCCUSJDGHABW-UHFFFAOYSA-N

Properties

• Density: 1.214g/cm³ (Cal.)
• Melting point: 128-130°C (Expl.)
• Boiling point: 377.908°C at 760 mmHg (Cal.)
• Flash point: 182.352°C (Cal.)
• Refractive index: 1.509 (Cal.)

Safety Data

• Safety Description: Harmful/Irritant