1-(4-Chloro-3-fluorophenyl)-2,2-dimethyl-1-butanone
[CAS# 898765-70-3]

Identification

• Name: 1-(4-Chloro-3-fluorophenyl)-2,2-dimethyl-1-butanone
• Synonyms: 4'-chloro-2,2-dimethyl-3'-fluorobutyrophenone
• Molecular Formula: C₁₂H₁₄ClFO
• Molecular Weight: 228.69
• CAS Registry Number: 898765-70-3
• SMILES: Fc1cc(ccc1Cl)C(=O)C(C)(C)CC
• InChI: 1S/C12H14ClFO/c1-4-12(2,3)11(15)8-5-6-9(13)10(14)7-8/h5-7H,4H2,1-3H3
• InChIKey: TVYROUZNQKPRKZ-UHFFFAOYSA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 299.442°C at 760 mmHg (Cal.)
• Flash point: 134.898°C (Cal.)
• Refractive index: 1.499 (Cal.)