Description

Ethanaminium, N-(fluoromethyl)-2-hydroxy-N,N-dimethyl-, 4-methylbenzenesulfonate (1:1) (CAS No. 835605-47-5) is a high-purity quaternary ammonium salt with the molecular formula C₁₂H₂₀FNO₄S. This compound, also known by its IUPAC name fluoromethyl-(2-hydroxyethyl)-dimethylazanium;4-methylbenzenesulfonate, is a specialized ionic liquid intermediate with applications in organic synthesis, catalysis, and material science. The presence of both fluoromethyl and hydroxyethyl functional groups provides unique reactivity for designing advanced electrolytes, surfactants, or phase-transfer catalysts. Available in >98% purity by HPLC, this product is supplied as a white to off-white crystalline solid with strict quality control to ensure batch-to-batch consistency. Each vial is clearly labeled with Lot Number, CAS, and molecular weight (293.35 g/mol) for traceability. Store under inert atmosphere at 2-8°C to maintain stability.

Properties

• CAS Number: 835605-47-5
• Complexity: 258
• IUPAC Name: fluoromethyl-(2-hydroxyethyl)-dimethyl-ammonium;4-methylbenzenesulfonate
• InChI: InChI=1S/C7H8O3S.C5H13FNO/c1-6-2-4-7(5-3-6)11(8,9)10;1-7(2,5-6)3-4-8/h2-5H,1H3,(H,8,9,10);8H,3-5H2,1-2H3/q;+1/p-1
• InChI Key: DHJWIIZKWBCGMJ-UHFFFAOYSA-M
• Exact Mass: 293.10970745
• Molecular Formula: C12H20FNO4S
• Molecular Weight: 293.36
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(CCO)CF
• Topological: 85.8
• Monoisotopic Mass: 293.10970745
• Synonyms: DB-429659, Ethanaminium, N-(fluoromethyl)-2-hydroxy-N,N-dimethyl-, 4-methylbenzenesulfonate (1:1), 835605-47-5

Application

This fluoromethyl-containing quaternary ammonium salt serves as a key building block for synthesizing ionic liquids with tailored physicochemical properties. Researchers utilize it in the development of non-aqueous electrolytes for energy storage systems due to its potential to enhance ionic conductivity. The compound’s dual functionality also makes it valuable for creating novel phase-transfer catalysts in asymmetric synthesis applications.

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