5-(5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-4,5-dihydroisoxazol-3-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione CAS 400082-28-2

Purity 97%+In StockPharmaceutical Standards
CAS No.400082-28-2
Molecular FormulaC13H12ClF3N6OS
Molecular Weight392.79 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-4,5-dihydroisoxazol-3-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione CAS 400082-28-2 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 5-(5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-4,5-dihydroisoxazol-3-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione.

5-(5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-4,5-dihydroisoxazol-3-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 400082-28-2) is a high-purity analytical reference standard with the molecular formula C13H12ClF3N6OS and a molecular weight of 392.79 g/mol.

Based on its molecular formula C13H12ClF3N6OS, 5-(5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-4,5-dihydroisoxazol-3-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 392.79 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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.

As a certified reference material (CRM), 5-(5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-4,5-dihydroisoxazol-3-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC13H12ClF3N6OS
Molecular Weight392.79 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms6
Sulfur Atoms1

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