Description

2′,4′,5′-Trifluoroacetophenone (CAS No. 129322-83-4) is a high-purity fluorinated aromatic ketone with the molecular formula C₈H₅F₃O. This compound, also known as 1-(2,4,5-trifluorophenyl)ethanone, is a versatile building block in organic synthesis and pharmaceutical research. Its unique trifluorinated structure enhances reactivity and stability, making it ideal for applications in medicinal chemistry, agrochemicals, and material science. The product is supplied as a clear to pale-yellow liquid or crystalline solid, with a purity of ≥98% (GC). It is stored under inert conditions to ensure long-term stability and is compatible with a wide range of organic solvents. Suitable for researchers and industrial scientists seeking reliable fluorinated intermediates.

Properties

• CAS Number: 129322-83-4
• Complexity: 183
• IUPAC Name: 1-(2,4,5-trifluorophenyl)ethanone
• InChI: InChI=1S/C8H5F3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
• InChI Key: GVTLJUZWNNFHMZ-UHFFFAOYSA-N
• Exact Mass: 174.02924926
• Molecular Formula: C8H5F3O
• Molecular Weight: 174.12
• SMILES: CC(=O)C1=CC(=C(C=C1F)F)F
• Topological: 17.1
• Monoisotopic Mass: 174.02924926
• Synonyms: 2′,4′,5′-Trifluoroacetophenone, 129322-83-4, 1-(2,4,5-Trifluorophenyl)ethanone, DTXSID20344099, DTXCID80295174, 624-762-4, 2,4,5-TRIFLUOROACETOPHENONE, MFCD00061193, 1-acetyl-2,4,5-trifluorobenzene, 1-(2,4,5-Trifluorophenyl)ethan-1-one, Ethanone, 1-(2,4,5-trifluorophenyl)-, 1-(2,4,5-Trifluoro-phenyl)-ethanone, SCHEMBL13390, BBL100652, CK1154, SBB068781, STL554446, 2”,4”,5”-Trifluoroacetophenone, 2′,4′,5′-Trifluoroacetophenone, AKOS005063624, AC-3626, CS-W017523, 1-(2,4,5-Trifluorophenyl)ethanone #, 2′,4′,5′-Trifluoroacetophenone, 99%, AS-15603, SY050317, 1-(2,4,5-Trifluorophenyl)ethanone, 9CI, ST50405390, T2758, 2 inverted exclamation mark ,4 inverted exclamation mark ,5 inverted exclamation mark -Trifluoroacetophenone, 2 inverted exclamation marka,4 inverted exclamation marka,5 inverted exclamation marka-Trifluoroacetophenone

Application

2′,4′,5′-Trifluoroacetophenone is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of fluorinated drug candidates. Its electron-withdrawing trifluoromethyl group enhances the bioavailability and metabolic stability of target molecules. This compound is also employed in agrochemical research for designing novel pesticides and herbicides. Additionally, it serves as a precursor in material science for creating specialty polymers and coatings with enhanced performance properties.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.8%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.