4-Chloro-5-(((3,4-dichlorobenzyl)thio)methyl)isoxazol-3(2H)-one CAS 89661-05-2

Purity 97%+In StockPharmaceutical Standards
CAS No.89661-05-2
Molecular FormulaC11H8Cl3NO2S
Molecular Weight324.61 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Chloro-5-(((3,4-dichlorobenzyl)thio)methyl)isoxazol-3(2H)-one CAS 89661-05-2 chemical structure

Description

4-Chloro-5-(((3,4-dichlorobenzyl)thio)methyl)isoxazol-3(2H)-one (CAS 89661-05-2) is a high-purity analytical reference standard with the molecular formula C11H8Cl3NO2S and a molecular weight of 324.61 g/mol.

4-Chloro-5-(((3,4-dichlorobenzyl)thio)methyl)isoxazol-3(2H)-one (C11H8Cl3NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. 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 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), 4-Chloro-5-(((3,4-dichlorobenzyl)thio)methyl)isoxazol-3(2H)-one 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 FormulaC11H8Cl3NO2S
Molecular Weight324.61 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.)1982
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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