2-(2,2-Dimethylpropanoyl)benzonitrile
[CAS# 898766-10-4]

Identification

• Name: 2-(2,2-Dimethylpropanoyl)benzonitrile
• Synonyms: 2'-Cyano-2,2-dimethylpropiophenone
• Molecular Formula: C₁₂H₁₃NO
• Molecular Weight: 187.24
• CAS Registry Number: 898766-10-4
• SMILES: N#Cc1ccccc1C(=O)C(C)(C)C
• InChI: 1S/C12H13NO/c1-12(2,3)11(14)10-7-5-4-6-9(10)8-13/h4-7H,1-3H3
• InChIKey: SENZRNCWZAQBNT-UHFFFAOYSA-N

Properties

• Density: 1.042g/cm³ (Cal.)
• Boiling point: 311.753°C at 760 mmHg (Cal.)
• Flash point: 142.343°C (Cal.)
• Refractive index: 1.519 (Cal.)