3-Methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)butan-1-one CAS 959239-60-2

Purity 97%+In StockPharmaceutical Standards
CAS No.959239-60-2
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)butan-1-one CAS 959239-60-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 167.21 g/mol gives 3-Methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)butan-1-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-Methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)butan-1-one (CAS 959239-60-2), molecular formula C8H13N3O and molecular weight 167.21 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, 3-Methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)butan-1-one is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 167.21 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC8H13N3O
Molecular Weight167.21 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)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms3

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