3-(5-Formyl-4H-1,2,4-triazol-3-yl)benzonitrile CAS 944906-43-8

Purity 97%+In StockPharmaceutical Standards
CAS No.944906-43-8
Molecular FormulaC10H6N4O
Molecular Weight198.18 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(5-Formyl-4H-1,2,4-triazol-3-yl)benzonitrile CAS 944906-43-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 198.18 g/mol gives 3-(5-Formyl-4H-1,2,4-triazol-3-yl)benzonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-(5-Formyl-4H-1,2,4-triazol-3-yl)benzonitrile (CAS 944906-43-8) is a high-purity analytical reference standard with the molecular formula C10H6N4O and a molecular weight of 198.18 g/mol.

The molecular framework of 3-(5-Formyl-4H-1,2,4-triazol-3-yl)benzonitrile (C10H6N4O) is characterized by a nitrogen-containing heterocyclic scaffold, 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC10H6N4O
Molecular Weight198.18 g/mol
AppearancePale yellow to yellow crystalline powder. (faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms4

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