5-(3-Chlorophenyl)-2-((3,4-dichlorobenzyl)thio)pyrimidine CAS 344282-85-5

Purity 97%+In StockPharmaceutical Standards
CAS No.344282-85-5
Molecular FormulaC17H11Cl3N2S
Molecular Weight381.71 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(3-Chlorophenyl)-2-((3,4-dichlorobenzyl)thio)pyrimidine CAS 344282-85-5 chemical structure

Description

Structurally, 5-(3-Chlorophenyl)-2-((3,4-dichlorobenzyl)thio)pyrimidine (C17H11Cl3N2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine 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 381.71 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.

5-(3-Chlorophenyl)-2-((3,4-dichlorobenzyl)thio)pyrimidine (CAS 344282-85-5) is a high-purity analytical reference standard with the molecular formula C17H11Cl3N2S and a molecular weight of 381.71 g/mol.

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

Molecular FormulaC17H11Cl3N2S
Molecular Weight381.71 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

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