5-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid methyl ester CAS 845617-19-8

Description

5-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid methyl ester (CAS 845617-19-8), molecular formula C12H13F3O5S and molecular weight 326.29 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 5-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid methyl ester (C12H13F3O5S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

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