3-(2,2-Dimethoxyethyl)-5-(prop-2-yn-1-ylthio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazole CAS 303995-40-6

Purity 97%+In StockPharmaceutical Standards
CAS No.303995-40-6
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(2,2-Dimethoxyethyl)-5-(prop-2-yn-1-ylthio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazole CAS 303995-40-6 chemical structure

Description

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.

CATO supplies 3-(2,2-Dimethoxyethyl)-5-(prop-2-yn-1-ylthio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazole (CAS 303995-40-6), a certified reference material (molecular formula C16H16F3N3O2S, MW 371.38 g/mol) for analytical method development and quality control.

The molecular framework of 3-(2,2-Dimethoxyethyl)-5-(prop-2-yn-1-ylthio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazole (C16H16F3N3O2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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.

Physical & Chemical Properties

Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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