3-{[(4-chlorophenyl)methyl]sulfanyl}-5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazole CAS 344269-64-3

Description

The occurrence of 3-{[(4-chlorophenyl)methyl]sulfanyl}-5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazole 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.

3-{[(4-chlorophenyl)methyl]sulfanyl}-5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazole (CAS 344269-64-3), molecular formula C23H19Cl2N3S2 and molecular weight 472.45 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-{[(4-chlorophenyl)methyl]sulfanyl}-5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazole (C23H19Cl2N3S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 472.45 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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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