Description

1-Fluoro-2-(trifluoromethylsulfonyl)benzene (CAS No. 2358-41-0) is a high-purity fluorinated aromatic sulfone compound with the molecular formula C₇H₄F₄O₂S. This specialty chemical is widely utilized in advanced organic synthesis, pharmaceutical intermediates, and materials science research due to its unique trifluoromethylsulfonyl (SO₂CF₃) functional group. The compound exhibits excellent thermal stability and reactivity, making it ideal for nucleophilic substitution reactions, cross-coupling processes, and as a building block for fluorinated polymers. Available in >98% purity (GC), it is supplied in rigorously tested batches with full analytical documentation (NMR, HPLC, MS). Proper handling under inert atmosphere is recommended due to moisture sensitivity. Store in sealed containers at 2-8°C.

Properties

• CAS Number: 2358-41-0
• Complexity: 290
• IUPAC Name: 1-fluoro-2-(trifluoromethylsulfonyl)benzene
• InChI: InChI=1S/C7H4F4O2S/c8-5-3-1-2-4-6(5)14(12,13)7(9,10)11/h1-4H
• InChI Key: NXZFXDLCZKKNCX-UHFFFAOYSA-N
• Exact Mass: 227.98681319
• Molecular Formula: C7H4F4O2S
• Molecular Weight: 228.17
• SMILES: C1=CC=C(C(=C1)F)S(=O)(=O)C(F)(F)F
• Topological: 42.5
• Monoisotopic Mass: 227.98681319
• Synonyms: 1-fluoro-2-(trifluoromethylsulfonyl)benzene, 663-340-4, 2358-41-0, 1-Fluoro-2-((trifluoromethyl)sulfonyl)benzene, 1-fluoro-2-[(trifluoromethyl)sulfonyl]benzene, 1-fluoro-2-trifluoromethanesulfonylbenzene, 1-Fluoro-2-trifluoromethylsulfonyl-benzene, Benzene, 1-fluoro-2-[(trifluoromethyl)sulfonyl]-, MFCD09971596, C7H4F4O2S, SCHEMBL554516, SCHEMBL16667593, DTXSID40577600, BCP21730, CS-D0099, AKOS009209952, AB93470, BS-13925, SY007160, 1-Fluoro-2-(trifluoromethanesulfonyl)benzene, EN300-31973, 1-Fluoro-2-(trifluoromethylsulfonyl)benzene CAS No.:2358-41-0, o-Fluorophenyl TrifluoroMethyl Sulfone;Benzene, 1-fluoro-2-[(trifluoroMethyl)sulfonyl]-

1-Fluoro-2-(trifluoromethylsulfonyl)benzene serves as a key intermediate in the synthesis of bioactive molecules and agrochemicals. Its electron-withdrawing properties make it valuable for designing proton-conducting polymers in fuel cell research. The compound is also employed in palladium-catalyzed cross-coupling reactions to create complex fluorinated architectures. Researchers utilize it as a precursor for liquid crystal materials and corrosion-resistant coatings.

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 (100%): 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. 2A (100%)
• STOT SE 3 (100%)

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