3-Amino-2,4,6-triiodobenzoic acid
- Product Name3-Amino-2,4,6-triiodobenzoic acid
- CAS3119-15-1
- MFC7H4I3NO2
- MW514.83
- EINECS221-493-0
- MOL File3119-15-1.mol
Chemical Properties
| Melting point | 196-199 °C |
| Boiling point | 478.9±45.0 °C(Predicted) |
| Density | 2.7479 (estimate) |
| vapor pressure | 0.001Pa at 25℃ |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| pka | 1.50±0.10(Predicted) |
| color | Crystals |
| Water Solubility | Insoluble in water. |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13) |
| InChIKey | QMQFFHSJUJDRPG-UHFFFAOYSA-N |
| SMILES | Nc1c(I)cc(I)c(C(O)=O)c1I |
| LogP | -1.43-3.31 at 25℃ and pH1-9 |
| Dissociation constant | 2.7-2.9 |
| CAS DataBase Reference | 3119-15-1(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 36/37/38-22-20/21/22 |
| Safety Statements | 36/37/39-26-37/39 |
| WGK Germany | WGK 3 |
| RTECS | DG3349000 |
| HazardClass | IRRITANT |
| HS Code | 2922493800 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 |
| Toxicity | LD50 unr-rat: 1450 mg/kg JAPMA8 42,721,53 |
