3-((4-Fluoro-3-(trifluoromethyl)benzyl)thio)-4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazole CAS 294853-45-5

Purity 97%+In StockPharmaceutical Standards
CAS No.294853-45-5
Molecular FormulaC18H11F8N3S
Molecular Weight453.35 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-((4-Fluoro-3-(trifluoromethyl)benzyl)thio)-4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazole CAS 294853-45-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 453.35 g/mol gives 3-((4-Fluoro-3-(trifluoromethyl)benzyl)thio)-4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-((4-Fluoro-3-(trifluoromethyl)benzyl)thio)-4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazole (CAS 294853-45-5), molecular formula C18H11F8N3S and molecular weight 453.35 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution, 3-((4-Fluoro-3-(trifluoromethyl)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 453.35 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC18H11F8N3S
Molecular Weight453.35 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.)2025
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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