426834-69-7
| Name | NS 5806 |
| CAS | 426834-69-7 |
| Molecular Formula | C16H8Br2F6N6O |
| MDL Number | MFCD18432708 |
| Molecular Weight | 574.07 |
| MOL File | 426834-69-7.mol |
Chemical Properties
| density | 1.962±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO: >30mg/mL |
| form | powder |
| pka | 3.54±0.10(Predicted) |
| color | white to faint yellow |
| InChI | InChI=1S/C16H8Br2F6N6O/c17-8-4-10(13-27-29-30-28-13)12(11(18)5-8)26-14(31)25-9-2-6(15(19,20)21)1-7(3-9)16(22,23)24/h1-5H,(H2,25,26,31)(H,27,28,29,30) |
| InChIKey | UZWJWROOLOOCPQ-UHFFFAOYSA-N |
| SMILES | N(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(NC1=C(C2=NNN=N2)C=C(Br)C=C1Br)=O |
Safety Data
| Symbol(GHS) |  GHS06 |
| Signal word | Danger |
| Hazard statements | H301-H413 |
| Precautionary statements | P264-P270-P273-P301+P310-P405-P501 |
| Hazard Codes | T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Aquatic Chronic 4 |