3-(7-Bromo-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)benzonitrile CAS 1396808-72-2
| CAS No. | 1396808-72-2 |
| Molecular Formula | C16H11BrN2O2 |
| Molecular Weight | 343.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C16H11BrN2O2, 3-(7-Bromo-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)benzonitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 343.17 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
3-(7-Bromo-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)benzonitrile (CAS 1396808-72-2) is a high-purity analytical reference standard with the molecular formula C16H11BrN2O2 and a molecular weight of 343.17 g/mol.
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 | C16H11BrN2O2 |
| Molecular Weight | 343.17 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
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