2-((2,4-Dichlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 339101-49-4

Purity 97%+In StockPharmaceutical Standards
CAS No.339101-49-4
Molecular FormulaC13H9Cl2F3N2OS
Molecular Weight369.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((2,4-Dichlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 339101-49-4 chemical structure

Description

The occurrence of 2-((2,4-Dichlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 2-((2,4-Dichlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 339101-49-4), a certified reference material (molecular formula C13H9Cl2F3N2OS, MW 369.19 g/mol) for analytical method development and quality control.

Based on its molecular formula C13H9Cl2F3N2OS, 2-((2,4-Dichlorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 369.19 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC13H9Cl2F3N2OS
Molecular Weight369.19 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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms2
Sulfur Atoms1

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