5-[4-(Trifluoromethyl)phenyl]isoxazole-3-carboxylic Acid CAS 668970-85-2

Purity 97%+In StockPharmaceutical Standards
CAS No.668970-85-2
Molecular FormulaC11H6F3NO3
Molecular Weight257.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-[4-(Trifluoromethyl)phenyl]isoxazole-3-carboxylic Acid CAS 668970-85-2 chemical structure

Description

The occurrence of 5-[4-(Trifluoromethyl)phenyl]isoxazole-3-carboxylic Acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 5-[4-(Trifluoromethyl)phenyl]isoxazole-3-carboxylic Acid (CAS 668970-85-2), a certified reference material (molecular formula C11H6F3NO3, MW 257.17 g/mol) for analytical method development and quality control.

Structurally, 5-[4-(Trifluoromethyl)phenyl]isoxazole-3-carboxylic Acid (C11H6F3NO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 257.17 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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.

As a certified reference material (CRM), 5-[4-(Trifluoromethyl)phenyl]isoxazole-3-carboxylic Acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC11H6F3NO3
Molecular Weight257.17 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, ethanol, DMSO
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.)1985
Halogen ContentF-containing
Nitrogen Atoms1

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