6946-15-2
| Name | 3-HYDROXY-4-METHYL-2-NITROBENZOIC ACID |
| CAS | 6946-15-2 |
| EINECS(EC#) | 230-105-9 |
| Molecular Formula | C8H7NO5 |
| MDL Number | MFCD00007106 |
| Molecular Weight | 197.14 |
| MOL File | 6946-15-2.mol |
Chemical Properties
| Melting point | 185-187 °C (lit.) |
| Boiling point | 379.7±42.0 °C(Predicted) |
| density | 1.534±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 2.24±0.25(Predicted) |
| Appearance | Light yellow to yellow Solid |
| Optical Rotation | 0.2344°(C=1.0026g/100ml CHCL3) |
| InChI | 1S/C8H7NO5/c1-4-2-3-5(8(11)12)6(7(4)10)9(13)14/h2-3,10H,1H3,(H,11,12) |
| InChIKey | HEKGHQKEERXLOI-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C(O)=O)c(c1O)[N+]([O-])=O |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 2918290000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |