1-(2H-1,2,3-Triazol-4-yl)ethanone CAS 6595-45-5

Purity 97%+In StockPharmaceutical Standards
CAS No.6595-45-5
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(2H-1,2,3-Triazol-4-yl)ethanone CAS 6595-45-5 chemical structure

Description

The occurrence of 1-(2H-1,2,3-Triazol-4-yl)ethanone is closely related to an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-(2H-1,2,3-Triazol-4-yl)ethanone (CAS 6595-45-5) is a high-purity analytical reference standard with the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol.

Structurally, 1-(2H-1,2,3-Triazol-4-yl)ethanone (C4H5N3O) contains an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 111.10 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.

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 FormulaC4H5N3O
Molecular Weight111.10 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)4.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1958
Nitrogen Atoms3

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