1-(4-Chloro-2-fluorophenyl)-2,2-dimethyl-1-butanone
[CAS# 898765-90-7]

Identification

• Name: 1-(4-Chloro-2-fluorophenyl)-2,2-dimethyl-1-butanone
• Synonyms: 4'-chloro-2,2-dimethyl-2'-fluorobutyrophenone
• Molecular Formula: C₁₂H₁₄ClFO
• Molecular Weight: 228.69
• CAS Registry Number: 898765-90-7
• SMILES: O=C(c1ccc(Cl)cc1F)C(C)(C)CC
• InChI: 1S/C12H14ClFO/c1-4-12(2,3)11(15)9-6-5-8(13)7-10(9)14/h5-7H,4H2,1-3H3
• InChIKey: HXFVSVPUEDEXHZ-UHFFFAOYSA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 288.694°C at 760 mmHg (Cal.)
• Flash point: 128.398°C (Cal.)
• Refractive index: 1.499 (Cal.)