3-(1,3-Oxazol-2-ylcarbonyl)benzonitrile
[CAS# 898759-89-2]

Identification

• Name: 3-(1,3-Oxazol-2-ylcarbonyl)benzonitrile
• Synonyms: 2-(3-Cyanobenzoyl)oxazole; MFCD07699357
• Molecular Formula: C₁₁H₆N₂O₂
• Molecular Weight: 198.18
• CAS Registry Number: 898759-89-2
• SMILES: O=C(c1cc(C#N)ccc1)c2ncco2
• InChI: 1S/C11H6N2O2/c12-7-8-2-1-3-9(6-8)10(14)11-13-4-5-15-11/h1-6H
• InChIKey: BSLKKDUMCRMAIB-UHFFFAOYSA-N

Properties

• Density: 1.331g/cm³ (Cal.)
• Boiling point: 380.144°C at 760 mmHg (Cal.)
• Flash point: 183.704°C (Cal.)
• Refractive index: 1.601 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE