3-(Dimethylamino)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carbonyl chloride CAS 118846-72-3

Purity 97%+In StockPharmaceutical Standards
CAS No.118846-72-3
Molecular FormulaC6H9ClN4O2
Molecular Weight204.61 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(Dimethylamino)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carbonyl chloride CAS 118846-72-3 chemical structure

Description

CATO supplies 3-(Dimethylamino)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carbonyl chloride (CAS 118846-72-3), a certified reference material (molecular formula C6H9ClN4O2, MW 204.61 g/mol) for analytical method development and quality control.

The molecular framework of 3-(Dimethylamino)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carbonyl chloride (C6H9ClN4O2) is characterized by an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.

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.

Physical & Chemical Properties

Molecular FormulaC6H9ClN4O2
Molecular Weight204.61 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
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)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentCl-containing
Nitrogen Atoms4

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