4-((2-Chloro-3-phenylallylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione CAS 587008-49-9

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-((2-Chloro-3-phenylallylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione.

4-((2-Chloro-3-phenylallylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 587008-49-9) is a high-purity analytical reference standard with the molecular formula C17H12ClFN4S and a molecular weight of 358.82 g/mol.

The molecular framework of 4-((2-Chloro-3-phenylallylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione (C17H12ClFN4S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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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