| CAS No. | 89661-05-2 |
| Molecular Formula | C11H8Cl3NO2S |
| Molecular Weight | 324.61 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
| Molecular Formula | C11H8Cl3NO2S |
| Molecular Weight | 324.61 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May 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 Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |