| Melting point |
215 - 217°C |
| Boiling point |
432.3±45.0 °C(Predicted) |
| Density |
1.635±0.06 g/cm3(Predicted) |
| vapor pressure |
0-0Pa at 20-25℃ |
| storage temp. |
Keep in dark place,Sealed in dry,Store in freezer, under -20°C |
| solubility |
DMSO (Slightly), Methanol (Slightly) |
| pka |
7.04±0.10(Predicted) |
| form |
Solid |
| color |
Off-White to Pale Yellow |
| Henry's Law Constant |
1.3×107 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| Stability |
Hygroscopic |
| InChI |
InChI=1S/C8H8ClN3O2/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10/h3H,1-2H2,(H,13,14)(H2,10,11,12) |
| InChIKey |
KWAIHLIXESXTJL-UHFFFAOYSA-N |
| SMILES |
C1(C2CC2)=NC(N)=C(Cl)C(C(O)=O)=N1 |
| LogP |
-2.48--1.01 at 20℃ |
| Surface tension |
72.1mN/m at 885mg/L and 20℃ |
| Dissociation constant |
4.65 at 20℃ |
| EPA Substance Registry System |
4-Pyrimidinecarboxylic acid, 6-amino-5-chloro-2-cyclopropyl- (858956-08-8) |