2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole CAS 680214-92-0

Purity 97%+In StockPharmaceutical Standards
CAS No.680214-92-0
Molecular FormulaC25H13Cl4F6N7S
Molecular Weight699.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole CAS 680214-92-0 chemical structure

Description

2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole (C25H13Cl4F6N7S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point; 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.

2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole (CAS 680214-92-0), molecular formula C25H13Cl4F6N7S and molecular weight 699.29 g/mol, is a CATO reference standard with documented purity and traceability.

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.

CATO manufactures 2-{[5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC25H13Cl4F6N7S
Molecular Weight699.29 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)18.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentF/Cl-containing
Nitrogen Atoms7
Sulfur Atoms1

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