3-{[5-(1,3-Dioxolan-2-yl)-2-thienyl]carbonyl}benzonitrile
[CAS# 898778-19-3]

Identification

• Name: 3-{[5-(1,3-Dioxolan-2-yl)-2-thienyl]carbonyl}benzonitrile
• Synonyms: 2-(3-Cyanobenzoyl)-5-(1,3-dioxolan-2-yl)thiophene
• Molecular Formula: C₁₅H₁₁NO₃S
• Molecular Weight: 285.32
• CAS Registry Number: 898778-19-3
• SMILES: N#Cc1cccc(c1)C(=O)c2ccc(s2)C3OCCO3
• InChI: 1S/C15H11NO3S/c16-9-10-2-1-3-11(8-10)14(17)12-4-5-13(20-12)15-18-6-7-19-15/h1-5,8,15H,6-7H2
• InChIKey: KFFVHASQMJBHMR-UHFFFAOYSA-N

Properties

• Density: 1.382g/cm³ (Cal.)
• Boiling point: 488.479°C at 760 mmHg (Cal.)
• Flash point: 249.223°C (Cal.)
• Refractive index: 1.638 (Cal.)