3,5-Dinitro-2-methylbenzoic acid
- Product Name3,5-Dinitro-2-methylbenzoic acid
- CAS28169-46-2
- MFC8H6N2O6
- MW226.14
- EINECS248-880-7
- MOL File28169-46-2.mol
Chemical Properties
| Melting point | 205-207 °C(lit.) |
| Boiling point | 367.74°C (rough estimate) |
| Density | 1.6136 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| storage temp. | Storage temp. 2-8°C |
| pka | pK1:2.97 (25°C) |
| Appearance | White to off-white Solid |
| Water Solubility | Soluble in water. |
| BRN | 2622906 |
| Henry's Law Constant | 3.7×106 mol/(m3Pa) at 25℃, Abraham and Jr. (2019) |
| InChI | InChI=1S/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12) |
| InChIKey | CDVNZMKTJIBBBV-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1C |
| CAS DataBase Reference | 28169-46-2(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 2-methyl-3,5-dinitro- (28169-46-2) |
Safety Information
| Hazard Codes | Xi,Xn |
| Risk Statements | 36/37/38-22 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 2916399090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
