Description

2,2,2-Trifluoroacetophenone (CAS No. 434-45-7) is a high-purity fluorinated aromatic ketone with the molecular formula C₈H₅F₃O. Also known as 2,2,2-trifluoro-1-phenylethanone or α,α,α-trifluoroacetophenone, this compound is characterized by its trifluoromethyl group attached to a phenyl ketone moiety, offering unique reactivity and stability. It is widely used as a versatile building block in organic synthesis, particularly in pharmaceutical, agrochemical, and material science research. Available in >98% purity, this reagent is supplied in sealed containers to ensure optimal shelf life and performance. Suitable for use in Grignard reactions, nucleophilic additions, and as a precursor for trifluoromethylated compounds.

Properties

• CAS Number: 434-45-7
• Complexity: 168
• IUPAC Name: 2,2,2-trifluoro-1-phenyl-ethanone
• InChI: InChI=1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
• InChI Key: KZJRKRQSDZGHEC-UHFFFAOYSA-N
• Exact Mass: 174.02924926
• Molecular Formula: C8H5F3O
• Molecular Weight: 174.12
• SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F
• Topological: 17.1
• Monoisotopic Mass: 174.02924926
• Physical Description: Colorless liquid;
• Vapor Pressure: 1.22 [mmHg]
• Synonyms: 2,2,2-TRIFLUOROACETOPHENONE, 434-45-7, 2,2,2-Trifluoro-1-phenylethanone, alpha,alpha,alpha-Trifluoroacetophenone, Trifluoromethyl phenyl ketone, Ethanone, 2,2,2-trifluoro-1-phenyl-, Phenyl trifluoromethyl ketone, Acetophenone, 2,2,2-trifluoro-, 1,1,1-Trifluoroacetophenone, (Trifluoroacetyl)benzene, NSC 42752, 6T7L1UPY09, phenyltrifluoromethylketone, EINECS 207-103-1, NSC-42752, DTXSID6059992, .alpha.,.alpha.,.alpha.-Trifluoroacetophenone, .omega.,.omega.,.omega.-Trifluoroacetophenone, 2,2,2-TRIFLUORO-1-PHENYL-1-ETHANONE, 2,2,2Trifluoro1phenylethanone, Acetophenone, 2,2,2trifluoro, DTXCID9040261, Ethanone, 2,2,2trifluoro1phenyl, alpha,alpha,alphaTrifluoroacetophenone, Acetophenone, 2,2,2trifluoro (8CI), omega,omega,omega-Trifluoroacetophenone, Acetophenone, 2,2,2-trifluoro-(8CI), 207-103-1, inchi=1/c8h5f3o/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5, Trifluoroacetophenone, 2,2,2-trifluoro-1-phenylethan-1-one, 2,2,2-Trifluoro-1-phenyl-ethanone, CHEMBL293277, MFCD00000420, TRIFLUOROACETYLBENZENE, UNII-6T7L1UPY09, trifluoromethylphenylketone, 1,1-Trifluoroacetophenone, 2,2-Trifluoroacetophenone, trifluoromethylphenyl ketone, SCHEMBL33083, Acetophenone,2,2-trifluoro-, SCHEMBL608509, SCHEMBL608510, SCHEMBL7055037, 2,2-Trifluoro-1-phenylethanone, Ethanone,2,2-trifluoro-1-phenyl-, NSC42752, 2,2,2-Trifluoroacetophenone, 98%, 2,2,2-Trifluoroacetophenone, 99%, BDBM50163190, SBB064840, STL444353, .alpha.,.alpha.-Trifluoroacetophenone, AKOS005254512, ST095853, acetophenone, alpha-alpha-alpha-trifluoro-, DB-391882, CS-0031430, NS00043356, T0848, EN300-51325, F16442, Q27265490, F0001-1195, Z649458352, 234-45-7

Application

2,2,2-Trifluoroacetophenone is a key intermediate in the synthesis of trifluoromethyl-containing pharmaceuticals and agrochemicals. It serves as a precursor for the preparation of fluorinated heterocycles and ligands in catalysis. Researchers also utilize it in the development of advanced materials, such as liquid crystals and polymers, due to its electron-withdrawing properties.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (89.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (89.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Irrit. 2 (89.3%)
• Eye Irrit. 2 (89.3%)
• STOT SE 3 (87.5%)

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