Description

1,1,1-Trifluoro-N,N-dimethylmethanesulfonamide (CAS No. 28048-17-1) is a high-purity fluorinated sulfonamide compound with the molecular formula C₃H₆F₃NO₂S. This specialty chemical is characterized by its trifluoromethyl and dimethylsulfonamide functional groups, making it a valuable reagent for advanced synthetic and catalytic applications. It is supplied as a clear, colorless to pale-yellow liquid with exceptional stability under inert conditions. Ideal for researchers in organofluorine chemistry, this compound serves as a versatile building block for pharmaceuticals, agrochemicals, and materials science. Strict quality control ensures ≥95% purity (GC), with detailed technical data available upon request. Store under nitrogen at 2-8°C to maintain optimal integrity.

Properties

• CAS Number: 28048-17-1
• Complexity: 199
• IUPAC Name: 1,1,1-trifluoro-N,N-dimethyl-methanesulfonamide
• InChI: InChI=1S/C3H6F3NO2S/c1-7(2)10(8,9)3(4,5)6/h1-2H3
• InChI Key: GSIWUFBWQIELGP-UHFFFAOYSA-N
• Exact Mass: 177.00713409
• Molecular Formula: C3H6F3NO2S
• Molecular Weight: 177.15
• SMILES: CN(C)S(=O)(=O)C(F)(F)F
• Topological: 45.8
• Monoisotopic Mass: 177.00713409
• Synonyms: 1,1,1-trifluoro-N,N-dimethylmethanesulfonamide, 881-285-6, 28048-17-1, N,N-DIMETHYLTRIFLUOROMETHANESULFONAMIDE, MFCD20366501, AI 3-10742, SCHEMBL1008667, DTXSID50182325, GSIWUFBWQIELGP-UHFFFAOYSA-N, AKOS013917522, AS-82789, SY204171, DB-421043, CS-0240020, E83651, EN300-222993, Methanesulfonamide, 1,1,1-trifluoro-N,N-dimethyl-

Application

1,1,1-Trifluoro-N,N-dimethylmethanesulfonamide is widely employed as a fluorinating agent and polar aprotic solvent in nucleophilic substitution reactions. Its strong electron-withdrawing properties make it effective in catalyzing Friedel-Crafts acylations and facilitating trifluoromethylation processes. Researchers utilize this compound in the synthesis of bioactive molecules, particularly in medicinal chemistry for introducing trifluoromethyl groups into heterocyclic scaffolds. It also finds niche applications in electrolyte formulations for lithium-ion batteries due to its thermal stability.

Safety and Hazards

GHS Hazard Statements

• H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (50%)
• Acute Tox. 4 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Skin Sens. 1 (50%)
• Eye Dam. 1 (50%)
• Eye Irrit. 2 (50%)

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