3-benzyl-4H-1,2,4-triazole CAS 21117-34-0

Purity 97%+In StockPharmaceutical Standards
CAS No.21117-34-0
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-benzyl-4H-1,2,4-triazole CAS 21117-34-0 chemical structure

Description

3-benzyl-4H-1,2,4-triazole (CAS 21117-34-0), molecular formula C9H9N3 and molecular weight 159.19 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C9H9N3, 3-benzyl-4H-1,2,4-triazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 159.19 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC9H9N3
Molecular Weight159.19 g/mol
AppearanceOff-white to pale 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1963
Nitrogen Atoms3

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