2-(4-Chlorobenzyl)-5-methyl-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 861206-71-5

Purity 97%+In StockPharmaceutical Standards
CAS No.861206-71-5
Molecular FormulaC17H13ClF3N3O
Molecular Weight367.75 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(4-Chlorobenzyl)-5-methyl-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 861206-71-5 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 2-(4-Chlorobenzyl)-5-methyl-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one.

2-(4-Chlorobenzyl)-5-methyl-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-71-5), molecular formula C17H13ClF3N3O and molecular weight 367.75 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 2-(4-Chlorobenzyl)-5-methyl-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 367.75 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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), 2-(4-Chlorobenzyl)-5-methyl-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one 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 FormulaC17H13ClF3N3O
Molecular Weight367.75 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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