28169-46-2
| Name | 3,5-Dinitro-2-methylbenzoic acid |
| CAS | 28169-46-2 |
| EINECS(EC#) | 248-880-7 |
| Molecular Formula | C8H6N2O6 |
| MDL Number | MFCD00007161 |
| Molecular Weight | 226.14 |
| MOL File | 28169-46-2.mol |
Chemical Properties
| Appearance | light yellow fine crystalline powder |
| 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) |
| Water Solubility | Soluble in water. |
| BRN | 2622906 |
| 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 | 28169-46-2(EPA Substance) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi,Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 2916399090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |