2-(3,3-Dimethylbutanoyl)benzonitrile
[CAS# 898764-17-5]

Identification

• Name: 2-(3,3-Dimethylbutanoyl)benzonitrile
• Synonyms: 2'-Cyano-3,3-dimethylbutyrophenone
• Molecular Formula: C₁₃H₁₅NO
• Molecular Weight: 201.26
• CAS Registry Number: 898764-17-5
• SMILES: N#Cc1ccccc1C(=O)CC(C)(C)C
• InChI: 1S/C13H15NO/c1-13(2,3)8-12(15)11-7-5-4-6-10(11)9-14/h4-7H,8H2,1-3H3
• InChIKey: OYQMSIHPSQKJMX-UHFFFAOYSA-N

Properties

• Density: 1.027g/cm³ (Cal.)
• Boiling point: 326.739°C at 760 mmHg (Cal.)
• Flash point: 151.407°C (Cal.)
• Refractive index: 1.516 (Cal.)