5-((2-Chloro-5-methylphenoxy)methyl)-4-methyl-4H-1,2,4-triazole-3-thiol CAS 861408-36-8

Description

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.

5-((2-Chloro-5-methylphenoxy)methyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 861408-36-8), molecular formula C11H12ClN3OS and molecular weight 269.75 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 5-((2-Chloro-5-methylphenoxy)methyl)-4-methyl-4H-1,2,4-triazole-3-thiol (C11H12ClN3OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine 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 269.75 g/mol, it falls into the medium-molecular-weight range. 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.

Physical & Chemical Properties

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