2-(4-Chlorobenzyl)-4-(2,4-dimethoxyphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 861206-39-5

Purity 97%+In StockPharmaceutical Standards
CAS No.861206-39-5
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(4-Chlorobenzyl)-4-(2,4-dimethoxyphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 861206-39-5 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)-4-(2,4-dimethoxyphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one.

2-(4-Chlorobenzyl)-4-(2,4-dimethoxyphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-39-5) is a high-purity analytical reference standard with the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol.

Based on its molecular formula C18H18ClN3O3, 2-(4-Chlorobenzyl)-4-(2,4-dimethoxyphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 359.81 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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)-4-(2,4-dimethoxyphenyl)-5-methyl-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 FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms3

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