Pyr6
- Product NamePyr6
- CAS245747-08-4
- CBNumberCB12735534
- MFC17H9F7N4O
- MW418.27
- MDL NumberMFCD28385867
- MOL File245747-08-4.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 162-163 °C |
| Boiling point | 368.4±42.0 °C(Predicted) |
| Density | 1.52±0.1 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | DMSO : ≥ 100 mg/mL (239.08 mM) |
| form | Solid |
| pka | 9.85±0.70(Predicted) |
| color | Light yellow to yellow |
| InChI | 1S/C17H9F7N4O/c18-12-8-25-6-5-11(12)15(29)26-9-1-3-10(4-2-9)28-14(17(22,23)24)7-13(27-28)16(19,20)21/h1-8H,(H,26,29) |
| InChIKey | XZIQSOZOLJJMFN-UHFFFAOYSA-N |
| SMILES | O=C(C1=CC=NC=C1F)NC2=CC=C(N3C(C(F)(F)F)=CC(C(F)(F)F)=N3)C=C2 |
| UNSPSC Code | 12352200 |
| NACRES | NA.77 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P264-P270-P301+P312-P330-P501 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
