4-(dimethylamino)-1,1,1-trifluoro-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one CAS 152427-01-5

Purity 97%+In StockPharmaceutical Standards
CAS No.152427-01-5
Molecular FormulaC13H11F4N5O
Molecular Weight329.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(dimethylamino)-1,1,1-trifluoro-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one CAS 152427-01-5 chemical structure

Description

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.

CATO supplies 4-(dimethylamino)-1,1,1-trifluoro-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one (CAS 152427-01-5), a certified reference material (molecular formula C13H11F4N5O, MW 329.25 g/mol) for analytical method development and quality control.

Based on its molecular formula C13H11F4N5O, 4-(dimethylamino)-1,1,1-trifluoro-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 329.25 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC13H11F4N5O
Molecular Weight329.25 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2000
Halogen ContentF-containing
Nitrogen Atoms5

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