4-[3,5-Bis(trifluoromethyl)phenyl]-4-oxobutanoic acid
[CAS# 898788-04-0]

Identification

• Name: 4-[3,5-Bis(trifluoromethyl)phenyl]-4-oxobutanoic acid
• Synonyms: 4-(3,5-Ditrifluoromethylphenyl)-4-oxobutyric acid
• Molecular Formula: C₁₂H₈F₆O₃
• Molecular Weight: 314.18
• CAS Registry Number: 898788-04-0
• SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)CCC(O)=O
• InChI: 1S/C12H8F6O3/c13-11(14,15)7-3-6(9(19)1-2-10(20)21)4-8(5-7)12(16,17)18/h3-5H,1-2H2,(H,20,21)
• InChIKey: IKUWPJFEZLVXPR-UHFFFAOYSA-N

Properties

• Density: 1.457g/cm³ (Cal.)
• Boiling point: 307.323°C at 760 mmHg (Cal.)
• Flash point: 139.664°C (Cal.)
• Refractive index: 1.442 (Cal.)