Description

Ethyl trifluoromethanesulphonate (CAS No. 425-75-2) is a high-purity organosulfur compound with the molecular formula C₃H₅F₃O₃S, widely utilized in advanced organic synthesis and pharmaceutical research. This reagent is an ethyl ester derivative of trifluoromethanesulfonic acid, known for its strong electrophilic properties and ability to act as an efficient alkylating or triflylating agent. Its exceptional reactivity makes it invaluable in the formation of carbon-carbon and carbon-heteroatom bonds under controlled conditions.

Our product is rigorously tested to ensure >98% purity (GC), with stringent quality control to minimize moisture and acidic impurities. Supplied in amber glass bottles under inert gas to prevent degradation, it is ideal for Grignard reactions, Friedel-Crafts alkylations, and catalyst systems. Available in quantities from 5g to 1kg, with custom packaging options for industrial-scale applications.

Key Features:
– IUPAC Name: Ethyl trifluoromethanesulfonate
– Synonyms: Ethyl triflate, Trifluoromethanesulfonic acid ethyl ester
– Hazard Class: 8 (Corrosive) – Requires handling in a fume hood with appropriate PPE
– Storage: -20°C under argon
– Specialized Applications: Synthesis of fluorinated compounds, ionic liquids, and polymer initiators

Properties

• CAS Number: 425-75-2
• Complexity: 186
• IUPAC Name: ethyl trifluoromethanesulfonate
• InChI: InChI=1S/C3H5F3O3S/c1-2-9-10(7,8)3(4,5)6/h2H2,1H3
• InChI Key: UVECLJDRPFNRRQ-UHFFFAOYSA-N
• Exact Mass: 177.99114968
• Molecular Formula: C3H5F3O3S
• Molecular Weight: 178.13
• SMILES: CCOS(=O)(=O)C(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 177.99114968
• Synonyms: Ethyl trifluoromethanesulfonate, 425-75-2, Ethyl trifluoromethanesulphonate, EINECS 207-037-3, DTXSID3059979, Methanesulfonic acid, 1,1,1-trifluoro-, ethyl ester, DTXCID0040123, 207-037-3, Ethyl Triflate, ethyltrifluoromethanesulfonate, Trifluoromethanesulfonic acid ethyl ester, Methanesulfonic acid, trifluoro-, ethyl ester, ethyl (trifluoromethyl)sulfonate, C3H5F3O3S, Ethyl trifiate, EtOTf, MFCD00000410, SCHEMBL47322, SCHEMBL12487356, CS-B0883, Ethyl trifluoromethanesulfonate, 99%, SBB089377, AKOS007930463, GS-6816, SB66605, trifluoro-methanesulfonic acid ethyl ester, NS00031217, ST50825112, T1191, Ethyl trifluoromethanesulfonate, for GC derivatization, >=99.0%

Application

Ethyl trifluoromethanesulphonate serves as a versatile triflylating reagent in nucleophilic substitution reactions, particularly for converting alcohols to alkyl triflates. It is employed in peptide chemistry for protecting group activation and in material science for modifying polymer backbones. The compound’s strong electrophilicity facilitates cascade cyclizations in complex natural product synthesis, while its moisture sensitivity demands anhydrous conditions.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (37.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H341 (34.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

Precautionary Statements

• P203, P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P370+P378, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Acute Tox. 4 (37.5%)
• Skin Corr. 1C (100%)
• Eye Dam. 1 (37.5%)
• Muta. 2 (34.7%)

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