3,4-Difluorophenyl Isothiocyanate CAS 113028-75-4

Description

Compared with other compounds in its class, the molecular weight of 171.17 g/mol gives 3,4-Difluorophenyl Isothiocyanate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3,4-Difluorophenyl Isothiocyanate (CAS 113028-75-4), molecular formula C7H3F2NS and molecular weight 171.17 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3,4-Difluorophenyl Isothiocyanate (C7H3F2NS) contains a nitrile group, sulfur-containing functionality, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 171.17 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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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