5-{[4-(trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate CAS 680211-77-2

Description

Compared with other compounds in its class, the molecular weight of 339.23 g/mol gives 5-{[4-(trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-{[4-(trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate (CAS 680211-77-2) is a high-purity analytical reference standard with the molecular formula C14H8F3N3O4 and a molecular weight of 339.23 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 5-{[4-(trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 339.23 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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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