Sodium 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetate CAS 1011426-49-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1011426-49-5
Molecular FormulaC13H11ClN3O2S
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Sodium 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetate CAS 1011426-49-5 chemical structure

Description

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 supplies Sodium 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 1011426-49-5), a certified reference material (molecular formula C13H11ClN3O2SNa, MW 331.75 g/mol) for analytical method development and quality control.

The molecular framework of Sodium 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetate (C13H11ClN3O2SNa) is characterized by a salt form, a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC13H11ClN3O2S Na
Molecular Weight331.75 g/mol
Purity97%+
StorageStore at 2-8°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)9.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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