Ethyl 5-(((2-bromophenyl)thio)methyl)isoxazole-3-carboxylate CAS 823219-94-9
| CAS No. | 823219-94-9 |
| Molecular Formula | C13H12BrNO3S |
| Molecular Weight | 342.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Ethyl 5-(((2-bromophenyl)thio)methyl)isoxazole-3-carboxylate (C13H12BrNO3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 342.21 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Ethyl 5-(((2-bromophenyl)thio)methyl)isoxazole-3-carboxylate (CAS 823219-94-9), molecular formula C13H12BrNO3S and molecular weight 342.21 g/mol, is a CATO reference standard with documented purity and traceability.
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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C13H12BrNO3S |
| Molecular Weight | 342.21 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, 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.) | 1986 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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