Description

Trifluoromethyl trifluoromethanesulfonate (CAS No. 3582-05-6) is a highly reactive fluorinated sulfonate ester with the molecular formula C₂F₆O₃S. This specialized chemical is widely recognized for its strong electrophilic properties, making it a valuable reagent in organic synthesis, particularly in fluorination and trifluoromethylation reactions. Its high purity and stability under controlled conditions ensure reliable performance in advanced research applications.

This compound is commonly used as a precursor or intermediate in pharmaceuticals, agrochemicals, and materials science. It is supplied in rigorously tested batches to meet the stringent requirements of academic, industrial, and governmental research laboratories. Proper handling under inert atmospheres is recommended due to its moisture sensitivity.

Available in various quantities, Trifluoromethyl trifluoromethanesulfonate is packaged in sealed glass ampules or bottles to maintain integrity. For safety and regulatory compliance, always refer to the provided SDS and technical data sheet before use.

Properties

• CAS Number: 3582-05-6
• Complexity: 239
• IUPAC Name: trifluoromethyl trifluoromethanesulfonate
• InChI: InChI=1S/C2F6O3S/c3-1(4,5)11-12(9,10)2(6,7)8
• InChI Key: GVZFDPPAJXHNGL-UHFFFAOYSA-N
• Exact Mass: 217.94723400
• Molecular Formula: C2F6O3S
• Molecular Weight: 218.08
• SMILES: C(OS(=O)(=O)C(F)(F)F)(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 217.94723400
• Synonyms: trifluoromethyl trifluoromethanesulfonate, DTXSID40320072, DTXCID80271195, 805-991-0, 3582-05-6, Trifluoromethanesulfonic acid trifluoromethyl ester, trifluoromethyl triflate, trifluoromethyl trifluoromethanesulphonate, MFCD04973017, NSC354415, Trifluoromethyltriflate, CF3SO2OCF3, SCHEMBL286824, CS-B0884, BBL102696, STL556501, AKOS005259285, Trifluormethyl trifluoromethanesulfonate, Trifluoromethyltrifluoromethanesulfonate, FS-4741, NSC-354415, DB-007931, EN300-72479, trifluoro-methanesulfonic acid trifluoromethyl ester, trifluoromethane sulfonic acid, trifluoromethyl ester

Application

Trifluoromethyl trifluoromethanesulfonate is extensively used as a trifluoromethylating agent in organic synthesis, enabling the introduction of CF₃ groups into aromatic and heteroaromatic compounds. It serves as a key intermediate in the development of pharmaceuticals and agrochemicals due to its ability to enhance metabolic stability and lipophilicity. Researchers also employ it in polymer chemistry to modify surface properties and create fluorinated materials with unique characteristics.

Safety and Hazards

GHS Hazard Statements

• H314 (93%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (93%)

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