2-(Benzylsulfanyl)-5-[3-(trifluoromethyl)phenyl]pyrimidine CAS 339101-81-4

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-(Benzylsulfanyl)-5-[3-(trifluoromethyl)phenyl]pyrimidine.

2-(Benzylsulfanyl)-5-[3-(trifluoromethyl)phenyl]pyrimidine (CAS 339101-81-4) is a high-purity analytical reference standard with the molecular formula C18H13F3N2S and a molecular weight of 346.37 g/mol.

Structurally, 2-(Benzylsulfanyl)-5-[3-(trifluoromethyl)phenyl]pyrimidine (C18H13F3N2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 346.37 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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