Melting point |
249 °C |
Boiling point |
315.6±27.0 °C(Predicted) |
Density |
1.27±0.1 g/cm3(Predicted) |
storage temp. |
Keep in dark place,Inert atmosphere,2-8°C |
solubility |
DMSO, Ethanol, Methanol |
pka |
3.00±0.10(Predicted) |
form |
Powder |
color |
Pale yellow |
Water Solubility |
Slightly soluble in water (6.4 g/L at 25°C). Soluble in dimethyl sulfoxide, ethanol and methanol. |
InChI |
InChI=1S/C6H6N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,1H3,(H2,8,9,10) |
InChIKey |
YBPNIILOUYAGIF-UHFFFAOYSA-N |
SMILES |
C1(C)=NC=C(C#N)C(N)=N1 |
CAS DataBase Reference |
698-29-3(CAS DataBase Reference) |