6-Bromo-4-ethynyl-1-tosyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one CAS 1958012-11-7
| CAS No. | 1958012-11-7 |
| Molecular Formula | C17H12BrNO4S |
| Molecular Weight | 406.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 6-Bromo-4-ethynyl-1-tosyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one (C17H12BrNO4S) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine 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.
6-Bromo-4-ethynyl-1-tosyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one (CAS 1958012-11-7), molecular formula C17H12BrNO4S and molecular weight 406.25 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C17H12BrNO4S |
| Molecular Weight | 406.25 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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