Benzoylacetonitrile

• CAT Number: R002572
• CAS Number: 614-16-4
• Molecular Formula: C9H7NO
• Molecular Weight: 145.16
• Purity: ≥95%
• Synonyms: ß-Oxohydrocinnamonitrile; 3-Oxo-3-phenylpropanenitrile; Phenacyl Cyanide; α-Cyanoacetophenone; NSC 4713
• Storage: -20°C
• IUPAC Name: 3-oxo-3-phenylpropanenitrile
• InChI: InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
• InChIKey: ZJRCIQAMTAINCB-UHFFFAOYSA-N
• SMILES: C1=CC=C(C=C1)C(=O)CC#N

Benzoylacetonitrile(CAT: R002572) is an aromatic nitrile compound (C₉H₇NO) featuring a benzoyl group linked to an acetonitrile moiety. Appearing as a pale to light-yellow crystalline solid, it is valued as an intermediate in organic synthesis, particularly for pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive nitrile group enables versatile transformations, including condensation, cyclization, and reduction reactions, making it useful in heterocycle and fine chemical production. Benzoylacetonitrile is soluble in common organic solvents such as ethanol, ether, and chloroform. In research and industrial applications, it serves as a key building block for developing complex molecules with tailored functional properties.