3-Chloro-2-({4-methyl-5-[2-(1H-1,2,4-triazol-1-yl)propan-2-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-5-(trifluoromethyl)pyridine CAS 339026-48-1

Purity 97%+In StockPharmaceutical Standards
CAS No.339026-48-1
Molecular FormulaC14H13ClF3N7S
Molecular Weight403.81 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Chloro-2-({4-methyl-5-[2-(1H-1,2,4-triazol-1-yl)propan-2-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-5-(trifluoromethyl)pyridine CAS 339026-48-1 chemical structure

Description

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.

3-Chloro-2-({4-methyl-5-[2-(1H-1,2,4-triazol-1-yl)propan-2-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-5-(trifluoromethyl)pyridine (CAS 339026-48-1) is a high-purity analytical reference standard with the molecular formula C14H13ClF3N7S and a molecular weight of 403.81 g/mol.

Based on its molecular formula C14H13ClF3N7S, 3-Chloro-2-({4-methyl-5-[2-(1H-1,2,4-triazol-1-yl)propan-2-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-5-(trifluoromethyl)pyridine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 403.81 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).

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 FormulaC14H13ClF3N7S
Molecular Weight403.81 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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms7
Sulfur Atoms1

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