4-(3-Thienylcarbonyl)Benzonitrile
[CAS# 42296-08-2]

Identification

• Name: 4-(3-Thienylcarbonyl)Benzonitrile
• Synonyms: 3-(4-cyanobenzoyl)thiophene
• Molecular Formula: C₁₂H₇NOS
• Molecular Weight: 213.26
• CAS Registry Number: 42296-08-2
• SMILES: O=C(c1ccc(C#N)cc1)c2ccsc2
• InChI: 1S/C12H7NOS/c13-7-9-1-3-10(4-2-9)12(14)11-5-6-15-8-11/h1-6,8H
• InChIKey: CHMYSGYWUPHBKD-UHFFFAOYSA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 388.668°C at 760 mmHg (Cal.)
• Flash point: 188.86°C (Cal.)

References

• (1): Fu Ying, Yang Yanshou, Hügel Helmut M., Du Zhengyin, Wang Kehu, Huang Danfeng, Hu Yulai. Tandem nucleophilic addition–Oppenauer oxidation of aromatic aldehydes to aryl ketones with triorganoaluminium reagents, Organic & Biomolecular Chemistry, 2013