1-(3-Chloro-4-fluorophenyl)-2,2-dimethyl-1-butanone
[CAS# 898765-72-5]

Identification

• Name: 1-(3-Chloro-4-fluorophenyl)-2,2-dimethyl-1-butanone
• Synonyms: 3'-chloro-2,2-dimethyl-4'-fluorobutyrophenone
• Molecular Formula: C₁₂H₁₄ClFO
• Molecular Weight: 228.69
• CAS Registry Number: 898765-72-5
• SMILES: Fc1ccc(cc1Cl)C(=O)C(C)(C)CC
• InChI: 1S/C12H14ClFO/c1-4-12(2,3)11(15)8-5-6-10(14)9(13)7-8/h5-7H,4H2,1-3H3
• InChIKey: GZEYWSQVKUFRDD-UHFFFAOYSA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 302.928°C at 760 mmHg (Cal.)
• Flash point: 137.006°C (Cal.)
• Refractive index: 1.499 (Cal.)