| CAS No. | 89661-10-9 |
| Molecular Formula | C11H9ClN2O4S |
| Molecular Weight | 300.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-Chloro-5-(((4-nitrobenzyl)thio)methyl)isoxazol-3(2H)-one.
4-Chloro-5-(((4-nitrobenzyl)thio)methyl)isoxazol-3(2H)-one (CAS 89661-10-9) is a high-purity analytical reference standard with the molecular formula C11H9ClN2O4S and a molecular weight of 300.72 g/mol.
The molecular framework of 4-Chloro-5-(((4-nitrobenzyl)thio)methyl)isoxazol-3(2H)-one (C11H9ClN2O4S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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-(((4-nitrobenzyl)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 | C11H9ClN2O4S |
| Molecular Weight | 300.72 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May 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 Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |