(5-((4-Iodobenzyl)thio)-4-methyl-4h-1,2,4-triazol-3-yl)methanamine CAS 1465053-68-2

Description

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.

(5-((4-Iodobenzyl)thio)-4-methyl-4h-1,2,4-triazol-3-yl)methanamine (CAS 1465053-68-2), molecular formula C11H13IN4S and molecular weight 360.22 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, (5-((4-Iodobenzyl)thio)-4-methyl-4h-1,2,4-triazol-3-yl)methanamine (C11H13IN4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 360.22 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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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