4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[(4-methylphenyl)sulfanyl]-2-phenylpyrimidine CAS 338960-72-8

Description

4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[(4-methylphenyl)sulfanyl]-2-phenylpyrimidine (CAS 338960-72-8), molecular formula C25H21ClN2S2 and molecular weight 449.03 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[(4-methylphenyl)sulfanyl]-2-phenylpyrimidine (C25H21ClN2S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 449.03 g/mol, it falls into the moderately-high-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.

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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