1-(3-Chlorophenyl)-2,2-dimethyl-1-butanone
[CAS# 898765-40-7]

Identification

• Name: 1-(3-Chlorophenyl)-2,2-dimethyl-1-butanone
• Synonyms: 3'-chloro-2,2-dimethylbutyrophenone
• Molecular Formula: C₁₂H₁₅ClO
• Molecular Weight: 210.70
• CAS Registry Number: 898765-40-7
• SMILES: O=C(c1cc(Cl)ccc1)C(C)(C)CC
• InChI: 1S/C12H15ClO/c1-4-12(2,3)11(14)9-6-5-7-10(13)8-9/h5-8H,4H2,1-3H3
• InChIKey: PISXPNAHSIOGMS-UHFFFAOYSA-N

Properties

• Density: 1.059g/cm³ (Cal.)
• Boiling point: 290.297°C at 760 mmHg (Cal.)
• Flash point: 166.54°C (Cal.)
• Refractive index: 1.511 (Cal.)