5-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl}-4-phenyl-4H-1,2,4-triazole-3-thiol CAS 339010-57-0

Purity 97%+In StockPharmaceutical Standards
CAS No.339010-57-0
Molecular FormulaC16H12ClF3N4S
Molecular Weight384.81 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl}-4-phenyl-4H-1,2,4-triazole-3-thiol CAS 339010-57-0 chemical structure

Description

As a certified reference material (CRM), 5-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl}-4-phenyl-4H-1,2,4-triazole-3-thiol 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.

5-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl}-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 339010-57-0), molecular formula C16H12ClF3N4S and molecular weight 384.81 g/mol, is a CATO reference standard with documented purity and traceability.

5-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl}-4-phenyl-4H-1,2,4-triazole-3-thiol (C16H12ClF3N4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

Physical & Chemical Properties

Molecular FormulaC16H12ClF3N4S
Molecular Weight384.81 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.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms4
Sulfur Atoms1

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