3-((4-(Tert-butyl)benzyl)thio)-4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazole CAS 866152-93-4

Purity 97%+In StockPharmaceutical Standards
CAS No.866152-93-4
Molecular FormulaC21H21F4N3S
Molecular Weight423.47 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-((4-(Tert-butyl)benzyl)thio)-4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazole CAS 866152-93-4 chemical structure

Description

CATO supplies 3-((4-(Tert-butyl)benzyl)thio)-4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazole (CAS 866152-93-4), a certified reference material (molecular formula C21H21F4N3S, MW 423.47 g/mol) for analytical method development and quality control.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution, 3-((4-(Tert-butyl)benzyl)thio)-4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazole is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 423.47 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.

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 FormulaC21H21F4N3S
Molecular Weight423.47 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

Recommended Standards

Why CATO?