2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine
Bezeichnung:2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine
CAS-Nr230615-59-5
Englisch Name:2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine
CBNumberCB01477223
SummenformelC13H10F3N3O5
Molgewicht345.23
MOL-Datei230615-59-5.mol
2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 175-177°C |
| Siedepunkt | 520.4±50.0 °C(Predicted) |
| Dichte | 1.604 |
| storage temp. | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pka | -1.93±0.20(Predicted) |
| Farbe | 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 |
