2,2-Dimethyl-4-oxo-4-(3,4,5-trifluorophenyl)butanoic acid
[CAS# 898766-72-8]

Identification

• Name: 2,2-Dimethyl-4-oxo-4-(3,4,5-trifluorophenyl)butanoic acid
• Synonyms: 2,2-dimethyl-4-oxo-4-(3,4,5-trifluorophenyl)butryic acid
• Molecular Formula: C₁₂H₁₁F₃O₃
• Molecular Weight: 260.21
• CAS Registry Number: 898766-72-8
• SMILES: Fc1cc(cc(F)c1F)C(=O)CC(C)(C)C(O)=O
• InChI: 1S/C12H11F3O3/c1-12(2,11(17)18)5-9(16)6-3-7(13)10(15)8(14)4-6/h3-4H,5H2,1-2H3,(H,17,18)
• InChIKey: XLPMRFDLCPFBMC-UHFFFAOYSA-N

Properties

• Density: 1.339g/cm³ (Cal.)
• Boiling point: 386.424°C at 760 mmHg (Cal.)
• Flash point: 187.503°C (Cal.)
• Refractive index: 1.491 (Cal.)