Description

2′-Fluoro-5′-(trifluoromethyl)acetophenone (CAS No. 202664-53-7) is a high-purity fluorinated aromatic ketone with the molecular formula C₉H₆F₄O. This compound, also known by its IUPAC name 1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanone, is a versatile building block in organic synthesis and pharmaceutical research. Its unique structure, featuring both fluorine and trifluoromethyl groups, enhances its reactivity and utility in cross-coupling reactions, nucleophilic substitutions, and as a precursor for advanced intermediates. Ideal for researchers in medicinal chemistry, this compound is rigorously tested for purity and stability, ensuring reliable performance in demanding applications. Available in various quantities, it is supplied with comprehensive analytical data (including ¹H NMR, ¹³C NMR, and HPLC) to support your research needs.

Properties

• CAS Number: 202664-53-7
• Complexity: 223
• IUPAC Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanone
• InChI: InChI=1S/C9H6F4O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3
• InChI Key: PYEGOARCMCIYCW-UHFFFAOYSA-N
• Exact Mass: 206.03547746
• Molecular Formula: C9H6F4O
• Molecular Weight: 206.14
• SMILES: CC(=O)C1=C(C=CC(=C1)C(F)(F)F)F
• Topological: 17.1
• Monoisotopic Mass: 206.03547746
• Synonyms: 202664-53-7, 2′-Fluoro-5′-(trifluoromethyl)acetophenone, 1-(2-fluoro-5-(trifluoromethyl)phenyl)ethanone, 1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanone, 2-fluoro-5-(trifluoromethyl)acetophenone, 202264-53-7, Ethanone, 1-[2-fluoro-5-(trifluoromethyl)phenyl]-, 1-[2-fluoro-5-(trifluoromethyl)phenyl]ethan-1-one, MFCD00061248, 1-acetyl-2-fluoro-5-(trifluoromethyl)benzene, 1-(2-fluoro-5-(trifluoromethyl)phenyl)ethan-1-one, SCHEMBL2073688, DTXSID60942316, SBB093599, AKOS015853402, CS-W002286, PS-8076, SY021818, 2-fluoro-5-(trifluoromethyl) acetophenone, DB-045142, ST50407190, 1-(2-Fluoro-5-trifluoromethylphenyl)ethanone, EN300-1932602, 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]ethanone, A814343, 2 inverted exclamation mark -Fluoro-5 inverted exclamation mark -(trifluoromethyl)acetophenone, 2 inverted exclamation marka-Fluoro-5 inverted exclamation marka-(trifluoromethyl)acetophenone, Benzo[1,2-c:4,5-c’]dipyrrole-1,3,5,7(2H,6H)-tetrone,2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-phenylethyl)-(9ci)

Application

2′-Fluoro-5′-(trifluoromethyl)acetophenone is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its electron-withdrawing groups make it valuable in the development of bioactive molecules, particularly in the design of enzyme inhibitors and receptor modulators. Researchers also employ this compound in material science for creating fluorinated polymers with enhanced properties. Its stability under reactive conditions makes it suitable for use in palladium-catalyzed cross-coupling reactions.

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 (80%): 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%)

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