5-(((3-(Trifluoromethyl)benzyl)thio)methyl)isoxazol-3(2H)-one CAS 89660-82-2
| CAS No. | 89660-82-2 |
| Molecular Formula | C12H10F3NO2S |
| Molecular Weight | 289.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-(((3-(Trifluoromethyl)benzyl)thio)methyl)isoxazol-3(2H)-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-(((3-(Trifluoromethyl)benzyl)thio)methyl)isoxazol-3(2H)-one (CAS 89660-82-2) is a high-purity analytical reference standard with the molecular formula C12H10F3NO2S and a molecular weight of 289.27 g/mol.
The molecular framework of 5-(((3-(Trifluoromethyl)benzyl)thio)methyl)isoxazol-3(2H)-one (C12H10F3NO2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
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 5-(((3-(Trifluoromethyl)benzyl)thio)methyl)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 | C12H10F3NO2S |
| Molecular Weight | 289.27 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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 | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- (9-D-Asp) Semaglutide X Sodium salt (CAS CATO-CPTD788617)
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