![2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one Structure](https://www.chemicalbook.com/CAS/GIF/3158-91-6.gif)
2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one
- Product Name2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one
- CAS3158-91-6
- CBNumberCB0394840
- MFC13H8ClNO2
- MW245.66
- EINECS221-602-1
- MDL NumberMFCD06658244
- MOL File3158-91-6.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 242-244°C |
| Boiling point | 320.8±41.0 °C(Predicted) |
| Density | 1.369±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,2-8°C |
| solubility | DMSO (Sparingly, Heated), Methanol Slightly) |
| form | Solid |
| pka | 12.23±0.20(Predicted) |
| color | Pale Beige |
| Major Application | pharmaceutical small molecule |
| InChI | 1S/C13H8ClNO2/c14-8-5-6-12-10(7-8)15-13(16)9-3-1-2-4-11(9)17-12/h1-7H,(H,15,16) |
| InChIKey | CQTGCCLTIDNYHT-UHFFFAOYSA-N |
| SMILES | Clc1cc2c(cc1)Oc3c(cccc3)C(=O)N2 |
| CAS DataBase Reference | 3158-91-6(CAS DataBase Reference) |
| FDA UNII | XTG2E7M36O |
| Comptox DTXSID | DTXSID4057714 |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
