Melting point: |
178-180 °C(lit.) |
Boiling point: |
259.67°C (rough estimate) |
Density |
1.7477 (rough estimate) |
vapor pressure |
0.01Pa at 25℃ |
refractive index |
1.6120 (estimate) |
storage temp. |
2-8°C |
solubility |
DMSO (Slightly), Methanol (Slightly) |
pka |
3.08±0.10(Predicted) |
form |
Powder |
color |
White to yellow-gray or light brown |
BRN |
115854 |
InChI |
InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10) |
InChIKey |
FQIUCPGDKPXSLL-UHFFFAOYSA-N |
SMILES |
C1=NC=C(Br)C=C1C(O)=O |
LogP |
1.17-1.29 at 23.5℃ and pH6.4 |
CAS DataBase Reference |
20826-04-4(CAS DataBase Reference) |