| Melting point |
84-86 °C |
| Boiling point |
561.9±60.0 °C(Predicted) |
| Density |
1.37±0.1 g/cm3(Predicted) |
| vapor pressure |
0Pa at 20℃ |
| Flash point |
-4°C (25°F) |
| Specific Gravity |
1.0 |
| Water Solubility |
150μg/L at 20℃ |
| Hydrolytic Sensitivity |
4: no reaction with water under neutral conditions |
| InChI |
InChI=1S/C21H12N3O6PS/c25-13-22-16-1-7-19(8-2-16)28-31(32,29-20-9-3-17(4-10-20)23-14-26)30-21-11-5-18(6-12-21)24-15-27/h1-12H |
| InChIKey |
KGLSETWPYVUTQX-UHFFFAOYSA-N |
| SMILES |
P(=S)(OC1C=CC(N=C=O)=CC=1)(OC1=CC=C(N=C=O)C=C1)OC1=CC=C(N=C=O)C=C1 |
| LogP |
8.266 at 20℃ |
| CAS DataBase Reference |
4151-51-3(CAS DataBase Reference) |
| EPA Substance Registry System |
Phenol, 4-isocyanato-, phosphorothioate (3:1) (ester) (4151-51-3) |
