6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile CAS 478049-68-2

Purity 97%+In StockPharmaceutical Standards
CAS No.478049-68-2
Molecular FormulaC11H11F3N2O
Molecular Weight244.21 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile CAS 478049-68-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 244.21 g/mol gives 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile (CAS 478049-68-2), a certified reference material (molecular formula C11H11F3N2O, MW 244.21 g/mol) for analytical method development and quality control.

Based on its molecular formula C11H11F3N2O, 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile 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 244.21 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).

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 FormulaC11H11F3N2O
Molecular Weight244.21 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms2

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