| Melting point |
139-140° (dec) |
| Boiling point |
586.9±60.0 °C(Predicted) |
| Density |
1.51±0.1 g/cm3(Predicted) |
| storage temp. |
Inert atmosphere,Store in freezer, under -20°C |
| solubility |
Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated) |
| pka |
pKa1 3.92; pKa2 8.19(at 25℃) |
| form |
Solid |
| color |
Off-White to Pale Orange |
| Henry's Law Constant |
1.7×1014 mol/(m3Pa) at 25℃, HSDB (2015) |
| BCS Class |
3 |
| InChI |
InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21) |
| InChIKey |
IQPSEEYGBUAQFF-UHFFFAOYSA-N |
| SMILES |
C1(S(CC2=NC=CC(OC)=C2OC)=O)NC2=CC(OC(F)F)=CC=C2N=1 |
| CAS DataBase Reference |
102625-70-7(CAS DataBase Reference) |
