Description

2-Trifluoromethylbenzylsulfonyl chloride (CAS No. 85952-32-5) is a high-purity sulfonyl chloride derivative with the molecular formula C₈H₆ClF₃O₂S. This specialized reagent is widely utilized in organic synthesis, particularly in the preparation of sulfonamides and sulfonate esters, due to its reactive sulfonyl chloride functional group. The trifluoromethyl (-CF₃) substituent enhances its utility in pharmaceutical and agrochemical research by imparting unique electronic and steric properties. Available in rigorously controlled batches, this compound is ideal for precision applications in medicinal chemistry, material science, and catalysis. Packaged under inert conditions to ensure stability, it is supplied with comprehensive analytical data (GC/MS, NMR, HPLC) for quality assurance.

Properties

• CAS Number: 85952-32-5
• Complexity: 307
• IUPAC Name: [2-(trifluoromethyl)phenyl]methanesulfonyl chloride
• InChI: InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
• InChI Key: RFFCAUGRAMHQSO-UHFFFAOYSA-N
• Exact Mass: 257.9729128
• Molecular Formula: C8H6ClF3O2S
• Molecular Weight: 258.65
• SMILES: C1=CC=C(C(=C1)CS(=O)(=O)Cl)C(F)(F)F
• Topological: 42.5
• Monoisotopic Mass: 257.9729128
• Synonyms: 2-Trifluoromethylbenzylsulfonyl chloride, 674-540-6, 85952-32-5, (2-(Trifluoromethyl)phenyl)methanesulfonyl chloride, [2-(trifluoromethyl)phenyl]methanesulfonyl Chloride, 2-(trifluoromethyl)benzylsulfonyl chloride, MFCD04972907, (2-(trifluoromethyl)phenyl)-methanesulfonyl chloride, [2-(Trifluoromethyl)phenyl]-methanesulfonyl chloride, SCHEMBL270629, DTXSID90375779, CK2498, GEO-02379, SBB063785, AKOS000127644, AB21247, AS-15741, DB-021548, CS-0205087, EN300-55834, (2-trifluoromethylphenyl)methanesulfonyl chloride, chloro{[2-(trifluoromethyl)phenyl]methyl}sulfone, (2-(Trifluoromethyl)phenyl)methanesulfonylchloride, A841505, [2-(TRIFLUOROMETHYL)PHENYL]METHANESULPHONYL CHLORIDE

2-Trifluoromethylbenzylsulfonyl chloride is primarily employed as a key intermediate in the synthesis of biologically active sulfonamide compounds, which are prevalent in drug discovery. Its reactivity enables efficient incorporation into complex molecules for probing enzyme inhibition or receptor modulation. Researchers also leverage its trifluoromethyl group to enhance metabolic stability and lipophilicity in candidate molecules. Suitable for use under anhydrous conditions, it is a staple in peptide modification and cross-coupling reactions.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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