153587-01-0
| Name | NS 1619 |
| CAS | 153587-01-0 |
| Molecular Formula | C15H8F6N2O2 |
| MDL Number | MFCD00928190 |
| Molecular Weight | 362.23 |
| MOL File | 153587-01-0.mol |
Chemical Properties
| density | 1.563±0.06 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.47 mg/mL |
| form | solid |
| pka | 8.32±0.48(Predicted) |
| color | white |
| Water Solubility | 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.47mg/mL ethanol: 26.6mg/mL 0.1 M NaOH: 5.2mg/mL DMSO: 5.3mg/mL H2O: insoluble |
| InChI | InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25) |
| InChIKey | YLFMCMWKHSDUCT-UHFFFAOYSA-N |
| SMILES | C1(=O)N(C2=CC(C(F)(F)F)=CC=C2O)C2=CC=C(C(F)(F)F)C=C2N1 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |