89159-60-4
| Name | CHEMBRDG-BB 5280909 |
| CAS | 89159-60-4 |
| Molecular Formula | C16H14N2O3 |
| MDL Number | MFCD00593702 |
| Molecular Weight | 282.29 |
| MOL File | 89159-60-4.mol |
Chemical Properties
| Melting point | 178-179 °C(Solv: 1,4-dioxane (123-91-1)) |
| Boiling point | 544.0±50.0 °C(Predicted) |
| density | 1.29±0.1 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | ≤2mg/ml in ethanol;20mg/ml in DMSO;20mg/ml in dimethyl formamide |
| form | powder |
| pka | 14.47±0.10(Predicted) |
| color | white to beige |
| Water Solubility | H2O: 10mg/mL, clear DMSO: 25mg/mL, clear |
| InChI | 1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3 |
| InChIKey | GNJUKVGDCUKDLF-UHFFFAOYSA-N |
| SMILES | CN(C(CO)=C1C2=CC=CC=C2)C3=C1C=C([N+]([O-])=O)C=C3 |
Safety Data
| Symbol(GHS) |  GHS06 |
| Signal word | Danger |
| Hazard statements | H301 |
| Precautionary statements | P301+P310 |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | WGK 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |