Description

4-Chloro-2-methylphenyl trifluoromethanesulfonate (CAS No. 1446016-75-6) is a high-purity organic sulfonate ester with the molecular formula C₈H₆ClF₃O₃S. This compound, also known as 4-Chloro-2-methylphenyl triflate, is a versatile reagent widely used in organic synthesis, particularly in cross-coupling reactions and as a precursor for advanced intermediates. Its trifluoromethanesulfonate (triflate) group acts as an excellent leaving group, making it invaluable in nucleophilic substitution and transition-metal-catalyzed reactions. Our product is rigorously tested to ensure ≥95% purity (HPLC/GC), with stringent quality control to meet the demands of pharmaceutical, agrochemical, and materials science research. Supplied in amber glass vials under inert atmosphere to ensure stability, it is ideal for sensitive applications.

Properties

• CAS Number: 1446016-75-6
• Complexity: 335
• IUPAC Name: (4-chloro-2-methyl-phenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C8H6ClF3O3S/c1-5-4-6(9)2-3-7(5)15-16(13,14)8(10,11)12/h2-4H,1H3
• InChI Key: GECYAQNQPGLIHX-UHFFFAOYSA-N
• Exact Mass: 273.9678274
• Molecular Formula: C8H6ClF3O3S
• Molecular Weight: 274.65
• SMILES: CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 273.9678274
• Synonyms: 1446016-75-6, 4-Chloro-2-methylphenyl trifluoromethanesulfonate, 4-Chloro-2-methylphenyl trifluoromethanesulphonate, 4-Chloro-2-methylphenyl triflate, (4-chloro-2-methylphenyl) trifluoromethanesulfonate, Methanesulfonic acid, 1,1,1-trifluoro-, 4-chloro-2-methylphenyl ester, DTXSID501156566, MFCD25541852, AKOS027385372, PS-11183, 4-Chloro-2-methylphenyltrifluoromethanesulfonate, H42412, 4-Chloro-2-methylphenyl trifluoromethanesulphonate 97%, 4-Chloro-2-methylphenyl triflate, 5-Chloro-2-{[(trifluoromethyl)sulphonyl]oxy}toluene

Application

4-Chloro-2-methylphenyl trifluoromethanesulfonate is a key building block in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck, and Stille couplings) for synthesizing biaryl and heteroaryl compounds. It is also employed in the preparation of liquid crystals, OLED materials, and pharmaceutical intermediates due to its reactive triflate group. Researchers utilize this compound in nucleophilic aromatic substitution reactions to introduce functional groups at the aryl position.

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