4-(2H-1,3-Benzodioxol-5-yl)-1H-1,2,3-triazole-5-carbonitrile CAS 863870-58-0

Purity 97%+In StockPharmaceutical Standards
CAS No.863870-58-0
Molecular FormulaC10H6N4O2
Molecular Weight214.18 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(2H-1,3-Benzodioxol-5-yl)-1H-1,2,3-triazole-5-carbonitrile CAS 863870-58-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 214.18 g/mol gives 4-(2H-1,3-Benzodioxol-5-yl)-1H-1,2,3-triazole-5-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 4-(2H-1,3-Benzodioxol-5-yl)-1H-1,2,3-triazole-5-carbonitrile (CAS 863870-58-0), a certified reference material (molecular formula C10H6N4O2, MW 214.18 g/mol) for analytical method development and quality control.

The molecular framework of 4-(2H-1,3-Benzodioxol-5-yl)-1H-1,2,3-triazole-5-carbonitrile (C10H6N4O2) is characterized by an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. 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 FormulaC10H6N4O2
Molecular Weight214.18 g/mol
AppearancePale yellow to yellow crystalline powder. (faint amine-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
Degree of Unsaturation (DBE)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms4

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