1-(4-Acetylphenyl)-2,2,2-trifluoroethanone
[CAS# 86988-49-0]

Identification

• Name: 1-(4-Acetylphenyl)-2,2,2-trifluoroethanone
• Synonyms: 1-(4-Acetylphenyl)-2,2,2-trifluoroethan-1-one; 1-(4-acetylphenyl)-2,2,2-trifluoroethanone; 1-acetyl-4-(2,2,2-trifluoroacetyl)benzene
• Molecular Formula: C₁₀H₇F₃O₂
• Molecular Weight: 216.16
• CAS Registry Number: 86988-49-0
• SMILES: O=C(c1ccc(cc1)C(C)=O)C(F)(F)F
• InChI: 1S/C10H7F3O2/c1-6(14)7-2-4-8(5-3-7)9(15)10(11,12)13/h2-5H,1H3
• InChIKey: FCHCYEDIAATYDX-UHFFFAOYSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 279.68°C at 760 mmHg (Cal.)
• Flash point: 98.074°C (Cal.)

Safety Data

• Safety Description: Irritant

References

• (1): Mercedes Calvillo-Barahona, Carlos Cordovilla, Miroslav N. GenovPresent address: Sealife Pharma GmbH, Technopark I/Geb.B/EG, 3430 Tulln, Austria., Jesús M. Martínez-Ilarduya and Pablo Espinet. Molecular and Merrifield supported chiral diamines for enantioselective addition of ZnR (R = Me, Et) to ketones, Dalton Trans., 2013, .