3-(2,2-dimethylpropanoyl)benzonitrile
[CAS# 898766-12-6]

Identification

• Name: 3-(2,2-dimethylpropanoyl)benzonitrile
• Synonyms: 3'-Cyano-2,2-dimethylpropiophenone; MFCD03841168
• Molecular Formula: C₁₂H₁₃NO
• Molecular Weight: 187.24
• CAS Registry Number: 898766-12-6
• SMILES: N#Cc1cc(ccc1)C(=O)C(C)(C)C
• InChI: 1S/C12H13NO/c1-12(2,3)11(14)10-6-4-5-9(7-10)8-13/h4-7H,1-3H3
• InChIKey: MQRPHEGPMUGXGU-UHFFFAOYSA-N

Properties

• Density: 1.042g/cm³ (Cal.)
• Boiling point: 298.345°C at 760 mmHg (Cal.)
• Flash point: 134.234°C (Cal.)
• Refractive index: 1.519 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE