Ethyl 5-(((4-chlorophenyl)thio)methyl)isoxazole-3-carboxylate CAS 823219-87-0

Purity 97%+In StockPharmaceutical Standards
CAS No.823219-87-0
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 5-(((4-chlorophenyl)thio)methyl)isoxazole-3-carboxylate CAS 823219-87-0 chemical structure

Description

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.

Ethyl 5-(((4-chlorophenyl)thio)methyl)isoxazole-3-carboxylate (CAS 823219-87-0) is a high-purity analytical reference standard with the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, Ethyl 5-(((4-chlorophenyl)thio)methyl)isoxazole-3-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 297.76 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.

Physical & Chemical Properties

Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, 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.)1986
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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