3-(1-((4-Bromophenyl)sulfonyl)pyrrolidin-2-yl)-4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole CAS 344268-20-8

Purity 97%+In StockPharmaceutical Standards
CAS No.344268-20-8
Molecular FormulaC20H20BrN5O4S2
Molecular Weight538.44 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(1-((4-Bromophenyl)sulfonyl)pyrrolidin-2-yl)-4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole CAS 344268-20-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 538.44 g/mol gives 3-(1-((4-Bromophenyl)sulfonyl)pyrrolidin-2-yl)-4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 3-(1-((4-Bromophenyl)sulfonyl)pyrrolidin-2-yl)-4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole (CAS 344268-20-8), a certified reference material (molecular formula C20H20BrN5O4S2, MW 538.44 g/mol) for analytical method development and quality control.

3-(1-((4-Bromophenyl)sulfonyl)pyrrolidin-2-yl)-4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole (C20H20BrN5O4S2) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC20H20BrN5O4S2
Molecular Weight538.44 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
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)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentBr-containing
Nitrogen Atoms5
Sulfur Atoms2

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