4-(2,2-Dimethylbutanoyl)benzonitrile
[CAS# 898765-16-7]

Identification

• Name: 4-(2,2-Dimethylbutanoyl)benzonitrile
• Synonyms: 4'-Cyano-2,2-dimethylbutyrophenone
• Molecular Formula: C₁₃H₁₅NO
• Molecular Weight: 201.26
• CAS Registry Number: 898765-16-7
• SMILES: N#Cc1ccc(cc1)C(=O)C(C)(C)CC
• InChI: 1S/C13H15NO/c1-4-13(2,3)12(15)11-7-5-10(9-14)6-8-11/h5-8H,4H2,1-3H3
• InChIKey: BZAILRPPXKVCQH-UHFFFAOYSA-N

Properties

• Density: 1.027g/cm³ (Cal.)
• Boiling point: 332.47°C at 760 mmHg (Cal.)
• Flash point: 154.873°C (Cal.)
• Refractive index: 1.516 (Cal.)