2-((4-Chlorobenzyl)thio)-4-methylpyrimidine-5-carboxylic acid CAS 478042-55-6

Purity 97%+In StockPharmaceutical Standards
CAS No.478042-55-6
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((4-Chlorobenzyl)thio)-4-methylpyrimidine-5-carboxylic acid CAS 478042-55-6 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-((4-Chlorobenzyl)thio)-4-methylpyrimidine-5-carboxylic acid.

CATO supplies 2-((4-Chlorobenzyl)thio)-4-methylpyrimidine-5-carboxylic acid (CAS 478042-55-6), a certified reference material (molecular formula C13H11ClN2O2S, MW 294.76 g/mol) for analytical method development and quality control.

Based on its molecular formula C13H11ClN2O2S, 2-((4-Chlorobenzyl)thio)-4-methylpyrimidine-5-carboxylic acid 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 294.76 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

CATO manufactures 2-((4-Chlorobenzyl)thio)-4-methylpyrimidine-5-carboxylic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

Related Chlorobenzyl Standards

Recommended Standards

Why CATO?