2-[3-(Trifluoromethyl)-beta-Oxophenethyl]Benzoic Acid
[CAS# 50439-12-8]

Identification

• Name: 2-[3-(Trifluoromethyl)-beta-Oxophenethyl]Benzoic Acid
• Synonyms: 2-[2-Keto-2-[3-(Trifluoromethyl)Phenyl]Ethyl]Benzoic Acid; Acide (Trifluoro Methyl-3' Benzoyl) Alpha-Orthotoluique [French]; Brn 2760201
• Molecular Formula: C₁₆H₁₁F₃O₃
• Molecular Weight: 308.26
• CAS Registry Number: 50439-12-8
• SMILES: C1=CC=CC(=C1C(O)=O)CC(=O)C2=CC(=CC=C2)C(F)(F)F
• InChI: 1S/C16H11F3O3/c17-16(18,19)12-6-3-5-11(8-12)14(20)9-10-4-1-2-7-13(10)15(21)22/h1-8H,9H2,(H,21,22)
• InChIKey: RPBXZQUBVUVVET-UHFFFAOYSA-N

Properties

• Density: 1.354g/cm³ (Cal.)
• Boiling point: 409.892°C at 760 mmHg (Cal.)
• Flash point: 201.696°C (Cal.)