1-(2-Bromophenoxy)-3-nitrodibenz[b,f][1,4]oxazepin-11(10H)-one CAS 442631-06-3
| CAS No. | 442631-06-3 |
| Molecular Formula | C19H13BrN2O5 |
| Molecular Weight | 429.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 1-(2-Bromophenoxy)-3-nitrodibenz[b,f][1,4]oxazepin-11(10H)-one (C19H13BrN2O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 429.22 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
1-(2-Bromophenoxy)-3-nitrodibenz[b,f][1,4]oxazepin-11(10H)-one (CAS 442631-06-3), molecular formula C19H13BrN2O5 and molecular weight 429.22 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 | C19H13BrN2O5 |
| Molecular Weight | 429.22 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
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- 5-Chloro-2-iodo-4-methylpyrimidine (CAS 1260810-52-3)
- Loxoprofen Impurity 114 (CAS CATO-C4X-1488114)
- 2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-1,4-dicyanobenzene (CAS 1416881-55-4)
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- 2-acetyl-3-hydroxy-4-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one (CAS 86557-18-8)
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