5081-36-7
| Name | 3-Methoxy-4-nitrobenzoic acid |
| CAS | 5081-36-7 |
| EINECS(EC#) | 225-793-2 |
| Molecular Formula | C8H7NO5 |
| MDL Number | MFCD00007353 |
| Molecular Weight | 197.14 |
| MOL File | 5081-36-7.mol |
Chemical Properties
| Appearance | light yellow to beige crystalline powder |
| Melting point | 233-235 °C (lit.) |
| Boiling point | 334.23°C (rough estimate) |
| density | 1.5023 (rough estimate) |
| refractive index | 1.5700 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 3.30±0.10(Predicted) |
| color | White to Light yellow to Light orange |
| Water Solubility | Insoluble in water. |
| BRN | 2696042 |
| InChI | InChI=1S/C8H7NO5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3,(H,10,11) |
| InChIKey | PWURRRRGLCVBMX-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C([N+]([O-])=O)C(OC)=C1 |
| CAS DataBase Reference | 5081-36-7(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H335-H315-H319 |
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | Cool, dry,tightly closed |
| WGK Germany | 3 |
| HS Code | 29189900 |
| Storage Class | 11 - Combustible Solids |
