4-Chloro-5-(mercaptomethyl)isoxazol-3(2H)-one CAS 89660-91-3
| CAS No. | 89660-91-3 |
| Molecular Formula | C4H4ClNO2S |
| Molecular Weight | 165.60 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 165.60 g/mol gives 4-Chloro-5-(mercaptomethyl)isoxazol-3(2H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-Chloro-5-(mercaptomethyl)isoxazol-3(2H)-one (CAS 89660-91-3) is a high-purity analytical reference standard with the molecular formula C4H4ClNO2S and a molecular weight of 165.60 g/mol.
4-Chloro-5-(mercaptomethyl)isoxazol-3(2H)-one (C4H4ClNO2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 4-Chloro-5-(mercaptomethyl)isoxazol-3(2H)-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C4H4ClNO2S |
| Molecular Weight | 165.60 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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- Semaglutide impurity 101 (CAS CATO-C4X-2226101)
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