3-Ethynyl-1-methyl-1H-1,2,4-triazole CAS 55847-47-7

Purity 97%+In StockPharmaceutical Standards
CAS No.55847-47-7
Molecular FormulaC5H5N3
Molecular Weight107.11 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Ethynyl-1-methyl-1H-1,2,4-triazole CAS 55847-47-7 chemical structure

Description

Structurally, 3-Ethynyl-1-methyl-1H-1,2,4-triazole (C5H5N3) contains a nitrile group. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 107.11 g/mol, it falls into the low-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.

3-Ethynyl-1-methyl-1H-1,2,4-triazole (CAS 55847-47-7), molecular formula C5H5N3 and molecular weight 107.11 g/mol, is a CATO reference standard with documented purity and traceability.

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 FormulaC5H5N3
Molecular Weight107.11 g/mol
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)5.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1972
Nitrogen Atoms3

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