1,4-Thiazepane 1,1-dioxide 2,2,2-trifluoroacetate CAS 1990119-58-8

Description

Compared with other compounds in its class, the molecular weight of 263.23 g/mol gives 1,4-Thiazepane 1,1-dioxide 2,2,2-trifluoroacetate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1,4-Thiazepane 1,1-dioxide 2,2,2-trifluoroacetate (CAS 1990119-58-8), molecular formula C5H11NO2SC2HF3O2 and molecular weight 263.23 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C5H11NO2SC2HF3O2, 1,4-Thiazepane 1,1-dioxide 2,2,2-trifluoroacetate contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 263.23 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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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