4-Chloro-3-nitrocinnamic acid
- Product Name4-Chloro-3-nitrocinnamic acid
- CAS20797-48-2
- MFC9H6ClNO4
- MW227.6
- EINECS200-680-0
- MOL File20797-48-2.mol
Chemical Properties
| Melting point | 188-190 °C(lit.) |
| Boiling point | 408.6±35.0 °C(Predicted) |
| Density | 1.4751 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| storage temp. | Storage temp. 2-8°C |
| pka | 4.03±0.10(Predicted) |
| form | powder to crystal |
| color | Light yellow to Brown |
| InChI | InChI=1S/C9H6ClNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1-5H,(H,12,13) |
| InChIKey | QBDALTIMHOITIU-DUXPYHPUSA-N |
| SMILES | C(O)(=O)C=CC1=CC=C(Cl)C([N+]([O-])=O)=C1 |
| CAS DataBase Reference | 20797-48-2(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 24/25 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 29163990 |
