3-(4-Methoxyphenyl)-5-(trifluoromethyl)isoxazole-4-carboxylic acid CAS 1159978-83-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1159978-83-2
Molecular FormulaC12H8F3NO4
Molecular Weight287.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(4-Methoxyphenyl)-5-(trifluoromethyl)isoxazole-4-carboxylic acid CAS 1159978-83-2 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-(4-Methoxyphenyl)-5-(trifluoromethyl)isoxazole-4-carboxylic acid.

3-(4-Methoxyphenyl)-5-(trifluoromethyl)isoxazole-4-carboxylic acid (CAS 1159978-83-2), molecular formula C12H8F3NO4 and molecular weight 287.19 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C12H8F3NO4, 3-(4-Methoxyphenyl)-5-(trifluoromethyl)isoxazole-4-carboxylic acid 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 287.19 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 FormulaC12H8F3NO4
Molecular Weight287.19 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentF-containing
Nitrogen Atoms1

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