3-(2-Fluorophenyl)-4-methyl-5-(methylsulfinyl)-4H-1,2,4-triazole CAS 116850-53-4

Purity 97%+In StockPharmaceutical Standards
CAS No.116850-53-4
Molecular FormulaC10H10FN3OS
Molecular Weight239.27 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(2-Fluorophenyl)-4-methyl-5-(methylsulfinyl)-4H-1,2,4-triazole CAS 116850-53-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 239.27 g/mol gives 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfinyl)-4H-1,2,4-triazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfinyl)-4H-1,2,4-triazole (CAS 116850-53-4), a certified reference material (molecular formula C10H10FN3OS, MW 239.27 g/mol) for analytical method development and quality control.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution, 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfinyl)-4H-1,2,4-triazole is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 239.27 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC10H10FN3OS
Molecular Weight239.27 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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