Description

Sodium Trifluoromethanesulfinate (CAS No. 2926-29-6), also known as the Langlois Reagent, is a highly versatile and widely used organosulfur compound with the molecular formula CF3NaO2S. This white to off-white crystalline powder is renowned for its role as a trifluoromethylating agent in organic synthesis, enabling the introduction of the CF3 group into various substrates. With a purity of ≥95.0% (T), it is a preferred choice for pharmaceutical, agrochemical, and materials science research due to its stability and reactivity under mild conditions. The product is meticulously packaged to ensure optimal shelf life and performance, making it an essential reagent for scientists and researchers working on fluorinated compounds, radical reactions, and cross-coupling methodologies.

Properties

• CAS Number: 2926-29-6
• Complexity: 89.8
• IUPAC Name: sodium;trifluoromethanesulfinate
• InChI: InChI=1S/CHF3O2S.Na/c2-1(3,4)7(5)6;/h(H,5,6);/q;+1/p-1
• InChI Key: KAVUKAXLXGRUCD-UHFFFAOYSA-M
• Exact Mass: 155.94687918
• Molecular Formula: CF3NaO2S
• Molecular Weight: 156.06
• SMILES: C(F)(F)(F)S(=O)[O-].[Na+]
• Topological: 59.3
• Monoisotopic Mass: 155.94687918
• Synonyms: Sodium Trifluoromethanesulfinate, Langlois Reagent, DTXSID50635644, DTXCID60586395, 678-523-4, 2926-29-6, Sodium triflinate, Sodium trifluoromethanesulphinate, MFCD03092989, sodium;trifluoromethanesulfinate, Trifluoromethanesulfinic Acid Sodium Salt, Methanesulfinic acid, 1,1,1-trifluoro-, sodium salt (1:1), Trifluoromethanesulfinic acid, sodium salt, Sodium trifluoromethanesulfinate, tech grade, sodium trifluoro-methanesulfinate, Methanesulfinic acid, trifluoro-, sodium salt, Sodiumtrifluoromethanesulfinate, CF3NaO2S, sodium trifluoromethylsulfinate, sodium trifluromethanesulfinate, SCHEMBL1395646, sodium trifluoromethane sulfinate, sodium trifluoromethane-sulfinate, Perfluoromethane sulfinate sodium, SCHEMBL16009427, SBB087104, Sodium triflinate, >=95.0% (T), AKOS006220923, CS-W004656, FS60397, AS-70290, SY020090, T2033, EN300-127737, Q7553385, Langlois Reagent;Trifluoromethanesulfinic Acid Sodium Salt

Sodium Trifluoromethanesulfinate is extensively employed in organic synthesis for the trifluoromethylation of aromatic and heteroaromatic compounds. It serves as a key reagent in the preparation of pharmaceuticals, agrochemicals, and specialty materials requiring CF3 functionalization. Its compatibility with radical initiators and transition-metal catalysts makes it ideal for constructing complex fluorinated molecules. The Langlois Reagent is also utilized in electrochemical and photochemical applications, broadening its utility in modern synthetic chemistry.

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]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)

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