3-(3-Nitro-1H-1,2,4-triazol-1-yl)propanoic acid CAS 159209-58-2

Purity 97%+In StockPharmaceutical Standards
CAS No.159209-58-2
Molecular FormulaC5H6N4O4
Molecular Weight186.13 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(3-Nitro-1H-1,2,4-triazol-1-yl)propanoic acid CAS 159209-58-2 chemical structure

Description

The occurrence of 3-(3-Nitro-1H-1,2,4-triazol-1-yl)propanoic acid is closely related to a carbohydrate-derived structure, an amide group in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 3-(3-Nitro-1H-1,2,4-triazol-1-yl)propanoic acid (CAS 159209-58-2), a certified reference material (molecular formula C5H6N4O4, MW 186.13 g/mol) for analytical method development and quality control.

The molecular framework of 3-(3-Nitro-1H-1,2,4-triazol-1-yl)propanoic acid (C5H6N4O4) is characterized by a carbohydrate-derived structure, an amide group. 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 FormulaC5H6N4O4
Molecular Weight186.13 g/mol
AppearanceOff-white to pale yellow crystalline powder. (faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO, water
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)2002
Nitrogen Atoms4

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