1111636-35-1
| Name | Propanenitrile, 3-[[4-[1-(2,2-difluoroethyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-4-yl]-2-pyriMidinyl]aMino]- |
| CAS | 1111636-35-1 |
| Molecular Formula | C19H16F2N8 |
| Molecular Weight | 394.38 |
| MOL File | 1111636-35-1.mol |
Chemical Properties
| density | 1.48±0.1 g/cm3(Predicted) |
| storage temp. | room temp |
| solubility | Soluble in DMSO |
| form | powder |
| pka | 12.99±0.40(Predicted) |
| color | white to beige |
| InChI | 1S/C19H16F2N8/c20-16(21)11-29-10-14(15-3-7-25-19(27-15)24-5-1-4-22)17(28-29)13-8-12-2-6-23-18(12)26-9-13/h2-3,6-10,16H,1,5,11H2,(H,23,26)(H,24,25,27) |
| InChIKey | HFYMVDKBZONUOJ-UHFFFAOYSA-N |
| SMILES | FC(F)CN(N=C1C2=CC(C=CN3)=C3N=C2)C=C1C4=NC(NCCC#N)=NC=C4 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P280-P304+P340+P312-P305+P351+P338-P337+P313 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |