4-(4-Fluorobenzyl)-3-((4-methylbenzyl)thio)-5-(trifluoromethyl)-4H-1,2,4-triazole CAS 866152-92-3

Purity 97%+In StockPharmaceutical Standards
CAS No.866152-92-3
Molecular FormulaC18H15F4N3S
Molecular Weight381.39 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(4-Fluorobenzyl)-3-((4-methylbenzyl)thio)-5-(trifluoromethyl)-4H-1,2,4-triazole CAS 866152-92-3 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-(4-Fluorobenzyl)-3-((4-methylbenzyl)thio)-5-(trifluoromethyl)-4H-1,2,4-triazole.

4-(4-Fluorobenzyl)-3-((4-methylbenzyl)thio)-5-(trifluoromethyl)-4H-1,2,4-triazole (CAS 866152-92-3), molecular formula C18H15F4N3S and molecular weight 381.39 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C18H15F4N3S, 4-(4-Fluorobenzyl)-3-((4-methylbenzyl)thio)-5-(trifluoromethyl)-4H-1,2,4-triazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 381.39 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC18H15F4N3S
Molecular Weight381.39 g/mol
Purity97%+
StorageStore at 2-8°C, 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

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