2-(3-Nitro-1H-1,2,4-triazol-1-yl)-1-(thiophen-2-yl)ethan-1-one CAS 339159-20-5

Purity 97%+In StockPharmaceutical Standards
CAS No.339159-20-5
Molecular FormulaC8H6N4O3S
Molecular Weight238.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(3-Nitro-1H-1,2,4-triazol-1-yl)-1-(thiophen-2-yl)ethan-1-one CAS 339159-20-5 chemical structure

Description

The occurrence of 2-(3-Nitro-1H-1,2,4-triazol-1-yl)-1-(thiophen-2-yl)ethan-1-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-(3-Nitro-1H-1,2,4-triazol-1-yl)-1-(thiophen-2-yl)ethan-1-one (CAS 339159-20-5), molecular formula C8H6N4O3S and molecular weight 238.22 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C8H6N4O3S, 2-(3-Nitro-1H-1,2,4-triazol-1-yl)-1-(thiophen-2-yl)ethan-1-one contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 238.22 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC8H6N4O3S
Molecular Weight238.22 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms4
Sulfur Atoms1

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