2-(4-Chlorobenzyl)-4-(2,6-difluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 861206-31-7

Purity 97%+In StockPharmaceutical Standards
CAS No.861206-31-7
Molecular FormulaC16H12ClF2N3O
Molecular Weight335.74 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(4-Chlorobenzyl)-4-(2,6-difluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 861206-31-7 chemical structure

Description

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.

2-(4-Chlorobenzyl)-4-(2,6-difluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-31-7), molecular formula C16H12ClF2N3O and molecular weight 335.74 g/mol, is a CATO reference standard with documented purity and traceability.

2-(4-Chlorobenzyl)-4-(2,6-difluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (C16H12ClF2N3O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC16H12ClF2N3O
Molecular Weight335.74 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
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.)1987
Halogen ContentF/Cl-containing
Nitrogen Atoms3

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