Description

3-(Trifluoromethyl)phenyl trifluoromethanesulphonate (CAS No. 199188-30-2) is a high-purity fluorinated organic sulfonate ester with the molecular formula C₈H₄F₆O₃S. This compound is widely used as a versatile reagent in organic synthesis, particularly in electrophilic aromatic substitution reactions and as a trifluoromethanesulfonyl (triflyl) group transfer agent. Its IUPAC name is [3-(trifluoromethyl)phenyl] trifluoromethanesulfonate, and it is characterized by its excellent stability and reactivity under controlled conditions. Suitable for use in pharmaceutical intermediates, agrochemical research, and advanced material science, this product is rigorously tested for purity and consistency. Packaged under inert gas to ensure stability, it is ideal for researchers requiring precise and reliable fluorinated building blocks.

Properties

• CAS Number: 199188-30-2
• Complexity: 379
• IUPAC Name: [3-(trifluoromethyl)phenyl] trifluoromethanesulfonate
• InChI: InChI=1S/C8H4F6O3S/c9-7(10,11)5-2-1-3-6(4-5)17-18(15,16)8(12,13)14/h1-4H
• InChI Key: RTVXJTWXYGSQAI-UHFFFAOYSA-N
• Exact Mass: 293.97853413
• Molecular Formula: C8H4F6O3S
• Molecular Weight: 294.17
• SMILES: C1=CC(=CC(=C1)OS(=O)(=O)C(F)(F)F)C(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 293.97853413
• Synonyms: 3-(Trifluoromethyl)phenyl trifluoromethanesulphonate, 861-725-3, 199188-30-2, 3-(trifluoromethyl)phenyl trifluoromethanesulfonate, [3-(trifluoromethyl)phenyl] trifluoromethanesulfonate, Methanesulfonic acid, 1,1,1-trifluoro-, 3-(trifluoromethyl)phenyl ester, MFCD07784329, SCHEMBL5551444, SCHEMBL6938268, 3-Trifluoromethylphenyl triflate, DTXSID60443530, RTVXJTWXYGSQAI-UHFFFAOYSA-N, AKOS025310299, BS-21931, DB-294496, CS-0205610, 3-(trifluoromethyl)phenyltrifluoromethanesulfonate

Application

3-(Trifluoromethyl)phenyl trifluoromethanesulphonate is primarily employed as a triflylating agent in organic synthesis, enabling the introduction of the trifluoromethanesulfonyl group into aromatic systems. It serves as a key intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty materials due to its strong electron-withdrawing properties. Researchers also utilize it in cross-coupling reactions and as a precursor for advanced fluorinated compounds. Its stability and reactivity make it valuable in fine chemical manufacturing and catalysis studies.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501

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