1-(5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-4,5-dihydroisoxazol-3-yl)ethan-1-one CAS 338422-57-4

Purity 97%+In StockPharmaceutical Standards
CAS No.338422-57-4
Molecular FormulaC12H11ClF3N3O2
Molecular Weight321.68 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-4,5-dihydroisoxazol-3-yl)ethan-1-one CAS 338422-57-4 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.

1-(5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-4,5-dihydroisoxazol-3-yl)ethan-1-one (CAS 338422-57-4) is a high-purity analytical reference standard with the molecular formula C12H11ClF3N3O2 and a molecular weight of 321.68 g/mol.

Based on its molecular formula C12H11ClF3N3O2, 1-(5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-4,5-dihydroisoxazol-3-yl)ethan-1-one contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 321.68 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC12H11ClF3N3O2
Molecular Weight321.68 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms3

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