4-(p-Tolyl)-4H-1,2,4-triazole CAS 80535-18-8

Purity 97%+In StockPharmaceutical Standards
CAS No.80535-18-8
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(p-Tolyl)-4H-1,2,4-triazole CAS 80535-18-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 159.19 g/mol gives 4-(p-Tolyl)-4H-1,2,4-triazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-(p-Tolyl)-4H-1,2,4-triazole (CAS 80535-18-8) is a high-purity analytical reference standard with the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol.

Structurally, 4-(p-Tolyl)-4H-1,2,4-triazole (C9H9N3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 159.19 g/mol, it falls into the medium-molecular-weight range. 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.

As a certified reference material (CRM), 4-(p-Tolyl)-4H-1,2,4-triazole meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

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.)1980
Nitrogen Atoms3

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