2,2-Difluoro-5-isothiocyanatobenzo[d][1,3]dioxole CAS 869085-97-2

Description

The molecular framework of 2,2-Difluoro-5-isothiocyanatobenzo[d][1,3]dioxole (C8H3F2NO2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing 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.

2,2-Difluoro-5-isothiocyanatobenzo[d][1,3]dioxole (CAS 869085-97-2) is a high-purity analytical reference standard with the molecular formula C8H3F2NO2S and a molecular weight of 215.18 g/mol.

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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