Description

2,2-Difluoroethyl trifluoromethanesulfonate (CAS No. 74427-22-8) is a high-purity fluorinated sulfonate ester with the molecular formula C₃H₃F₅O₃S. This specialized chemical is widely utilized in advanced organic synthesis, particularly as an efficient alkylating or triflating agent in the preparation of fluorinated compounds. Its unique structure, featuring both difluoroethyl and trifluoromethanesulfonate (triflate) groups, makes it a valuable reagent for introducing fluorine-containing moieties into target molecules.

This product is rigorously tested for purity and stability, ensuring optimal performance in demanding synthetic applications. It is supplied in sealed containers under inert atmosphere to maintain its integrity. Suitable for use in pharmaceutical intermediates, agrochemicals, and materials science research.

Synonyms: 2,2-Difluoroethyl triflate, 2,2-difluoroethyltrifluoromethanesulphonate

Properties

• CAS Number: 74427-22-8
• Complexity: 223
• IUPAC Name: 2,2-difluoroethyl trifluoromethanesulfonate
• InChI: InChI=1S/C3H3F5O3S/c4-2(5)1-11-12(9,10)3(6,7)8/h2H,1H2
• InChI Key: NKULBUOBGILEAR-UHFFFAOYSA-N
• Exact Mass: 213.97230594
• Molecular Formula: C3H3F5O3S
• Molecular Weight: 214.11
• SMILES: C(C(F)F)OS(=O)(=O)C(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 213.97230594
• Synonyms: 2,2-difluoroethyl trifluoromethanesulfonate, 674-866-9, 74427-22-8, 2,2-Difluoroethyl triflate, 2,2-difluoroethyltrifluoromethanesulphonate, MFCD02093342, trifluoromethanesulfonic acid 2,2-difluoroethyl ester, Methanesulfonic acid,1,1,1-trifluoro-, 2,2-difluoroethyl ester, 2,2-difluoroethyltrifluoromethanesulfonate, difluorethyltriflate, difluoroethyl triflate, Methanesulfonic acid, trifluoro-, 2,2-difluoroethyl ester, 2,2-difluoroethyl trifluoromethanesulphonate, SCHEMBL145453, DTXSID30378880, SBB094915, AKOS005762882, CS-W023132, difluoroethyl trifluoromethane-sulfonate, PB43394, 2,2-difluoroethyl trifluoromethansulfonate, AS-49472, SY035998, 2, 2-difluoroethyl trifluoromethanesulfonate, 2,2-difluoroethyl (trifluoromethyl)sulfonate, 2,2-difluoroethyl trifluoromethane sulfonate, 2,2-difluoroethyl trifluoromethane-sulfonate, D5299, EN300-65366, I10778, trifluoromethanesulfonate (2,2-difluoroethyl)ester, trifluoromethanesulfonate (2,2-difluoroethyl) ester, trifluoro-methanesulfonic acid 2,2-difluoro-ethyl ester

Application

2,2-Difluoroethyl trifluoromethanesulfonate serves as a versatile reagent in fluorination reactions and as a precursor for synthesizing fluorinated organic compounds. It is particularly valuable in pharmaceutical research for creating bioactive molecules with enhanced metabolic stability. The compound’s reactivity makes it useful in nucleophilic substitution reactions and as a building block for specialty materials. Researchers also employ it in the development of fluorine-containing polymers and liquid crystals.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (88.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (95.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (95.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H332 (95.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (95.5%)
• Acute Tox. 4 (95.5%)
• Skin Corr. 1B (100%)
• Acute Tox. 4 (95.5%)

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