3,5-Dinitro-4-methylbenzoic acid
- Product Name3,5-Dinitro-4-methylbenzoic acid
- CAS16533-71-4
- MFC8H6N2O6
- MW226.14
- EINECS240-603-8
- MOL File16533-71-4.mol
Chemical Properties
| Melting point | 155-158 °C(lit.) |
| Boiling point | 396.3±42.0 °C(Predicted) |
| Density | 1.593±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | methanol: soluble250mg/10 mL, clear, faintly yellow to yellow |
| form | Crystalline Powder |
| pka | 2.95±0.10(Predicted) |
| color | Yellow |
| BRN | 2507949 |
| InChI | InChI=1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12) |
| InChIKey | LZWWZQXBKVZKIP-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC([N+]([O-])=O)=C(C)C([N+]([O-])=O)=C1 |
| CAS DataBase Reference | 16533-71-4(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
