3-(2,2-Dimethylbutanoyl)benzonitrile
[CAS# 898765-13-4]

Identification

• Name: 3-(2,2-Dimethylbutanoyl)benzonitrile
• Synonyms: 3'-cyano-2,2-dimethylbutyrophenone
• Molecular Formula: C₁₃H₁₅NO
• Molecular Weight: 201.26
• CAS Registry Number: 898765-13-4
• SMILES: N#Cc1cc(ccc1)C(=O)C(C)(C)CC
• InChI: 1S/C13H15NO/c1-4-13(2,3)12(15)11-7-5-6-10(8-11)9-14/h5-8H,4H2,1-3H3
• InChIKey: HYFXXDVUMWFGPE-UHFFFAOYSA-N

Properties

• Density: 1.027g/cm³ (Cal.)
• Boiling point: 314.14°C at 760 mmHg (Cal.)
• Flash point: 143.787°C (Cal.)
• Refractive index: 1.516 (Cal.)