2-(2,2-Dimethylbutanoyl)benzonitrile
[CAS# 898765-10-1]

Identification

• Name: 2-(2,2-Dimethylbutanoyl)benzonitrile
• Synonyms: 2'-cyano-2,2-dimethylbutyrophenone
• Molecular Formula: C₁₃H₁₅NO
• Molecular Weight: 201.26
• CAS Registry Number: 898765-10-1
• SMILES: N#Cc1ccccc1C(=O)C(C)(C)CC
• InChI: 1S/C13H15NO/c1-4-13(2,3)12(15)11-8-6-5-7-10(11)9-14/h5-8H,4H2,1-3H3
• InChIKey: YGVNXUHHGVNJFA-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.)