2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine
- Product Name2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine
- CAS230615-59-5
- CBNumberCB01477223
- MFC13H10F3N3O5
- MW345.23
- MDL NumberMFCD10566032
- MOL File230615-59-5.mol
Chemical Properties
| Melting point: | 175-177°C |
| Boiling point: | 520.4±50.0 °C(Predicted) |
| Density | 1.604 |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | -1.93±0.20(Predicted) |
| color | White to Light Yellow |
| InChI | InChI=1S/C13H10F3N3O5/c14-13(15,16)12(20)17-4-6-1-7(5-17)9-3-11(19(23)24)10(18(21)22)2-8(6)9/h2-3,6-7H,1,4-5H2 |
| InChIKey | BDTXJBWOCIFUMR-UHFFFAOYSA-N |
| SMILES | C(=O)(N1CC2CC(C3=CC([N+]([O-])=O)=C([N+]([O-])=O)C=C32)C1)C(F)(F)F |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
| HS Code | 2933990099 |