3-(3-Thienylcarbonyl)benzonitrile
[CAS# 861224-01-3]

Identification

• Name: 3-(3-Thienylcarbonyl)benzonitrile
• Synonyms: 3-(3-cyanobenzoyl)thiophene
• Molecular Formula: C₁₂H₇NOS
• Molecular Weight: 213.26
• CAS Registry Number: 861224-01-3
• SMILES: O=C(c1cc(C#N)ccc1)c2ccsc2
• InChI: 1S/C12H7NOS/c13-7-9-2-1-3-10(6-9)12(14)11-4-5-15-8-11/h1-6,8H
• InChIKey: RQKCISKXZLAQIC-UHFFFAOYSA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 376.556°C at 760 mmHg (Cal.)
• Flash point: 181.535°C (Cal.)
• Refractive index: 1.638 (Cal.)