5-[3,5-Bis(trifluoromethyl)phenyl]-5-oxopentanoic acid
[CAS# 898788-07-3]

Identification

• Name: 5-[3,5-Bis(trifluoromethyl)phenyl]-5-oxopentanoic acid
• Synonyms: 5-(3,5-Ditrifluoromethylphenyl)-5-oxovaleric acid
• Molecular Formula: C₁₃H₁₀F₆O₃
• Molecular Weight: 328.21
• CAS Registry Number: 898788-07-3
• SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)CCCC(O)=O
• InChI: 1S/C13H10F6O3/c14-12(15,16)8-4-7(5-9(6-8)13(17,18)19)10(20)2-1-3-11(21)22/h4-6H,1-3H2,(H,21,22)
• InChIKey: IHVOWHQTDQOSDM-UHFFFAOYSA-N

Properties

• Density: 1.414g/cm³ (Cal.)
• Boiling point: 331.692°C at 760 mmHg (Cal.)
• Flash point: 154.402°C (Cal.)
• Refractive index: 1.444 (Cal.)