3-(3-Chloro-phenyl)-isoxazole-5-carboxylic acid CAS 100517-43-9

Purity 97%+In StockPharmaceutical Standards
CAS No.100517-43-9
Molecular FormulaC10H6ClNO3
Molecular Weight223.61 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(3-Chloro-phenyl)-isoxazole-5-carboxylic acid CAS 100517-43-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 223.61 g/mol gives 3-(3-Chloro-phenyl)-isoxazole-5-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-(3-Chloro-phenyl)-isoxazole-5-carboxylic acid (CAS 100517-43-9), molecular formula C10H6ClNO3 and molecular weight 223.61 g/mol, is a CATO reference standard with documented purity and traceability.

3-(3-Chloro-phenyl)-isoxazole-5-carboxylic acid (C10H6ClNO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.

As a certified reference material (CRM), 3-(3-Chloro-phenyl)-isoxazole-5-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 FormulaC10H6ClNO3
Molecular Weight223.61 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
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 ContentCl-containing
Nitrogen Atoms1

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