6-((4-Chlorophenoxy)methyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one CAS 828253-58-3

Purity 97%+In StockPharmaceutical Standards
CAS No.828253-58-3
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.72 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-((4-Chlorophenoxy)methyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one CAS 828253-58-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 268.72 g/mol gives 6-((4-Chlorophenoxy)methyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 6-((4-Chlorophenoxy)methyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 828253-58-3), a certified reference material (molecular formula C11H9ClN2O2S, MW 268.72 g/mol) for analytical method development and quality control.

Based on its molecular formula C11H9ClN2O2S, 6-((4-Chlorophenoxy)methyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 268.72 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC11H9ClN2O2S
Molecular Weight268.72 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

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