4-{[5-(1,3-Dioxolan-2-yl)-2-thienyl]carbonyl}benzonitrile
[CAS# 898778-22-8]

Identification

• Name: 4-{[5-(1,3-Dioxolan-2-yl)-2-thienyl]carbonyl}benzonitrile
• Synonyms: 2-(4-Cyanobenzoyl)-5-(1,3-dioxolan-2-yl)thiophene
• Molecular Formula: C₁₅H₁₁NO₃S
• Molecular Weight: 285.32
• CAS Registry Number: 898778-22-8
• SMILES: N#Cc1ccc(cc1)C(=O)c2ccc(s2)C3OCCO3
• InChI: 1S/C15H11NO3S/c16-9-10-1-3-11(4-2-10)14(17)12-5-6-13(20-12)15-18-7-8-19-15/h1-6,15H,7-8H2
• InChIKey: ONEATJWTVLLDFY-UHFFFAOYSA-N

Properties

• Density: 1.382g/cm³ (Cal.)
• Boiling point: 499.692°C at 760 mmHg (Cal.)
• Flash point: 256.004°C (Cal.)
• Refractive index: 1.638 (Cal.)