7-Chloro-4-((3-methylbenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine CAS 303987-77-1

Description

The occurrence of 7-Chloro-4-((3-methylbenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

7-Chloro-4-((3-methylbenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine (CAS 303987-77-1), molecular formula C17H16ClNS2 and molecular weight 333.90 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution, 7-Chloro-4-((3-methylbenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 333.90 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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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