4-Nitroanisole
- Product Name4-Nitroanisole
- CAS100-17-4
- MFC7H7NO3
- MW153.14
- EINECS202-825-3
- MOL File100-17-4.mol
Chemical Properties
| Melting point | 51-53 °C |
| Boiling point | 260 °C |
| Density | 1.233 g/mL at 25 °C(lit.) |
| refractive index | 1.5030 (estimate) |
| Flash point | 130 °C |
| form | Crystals |
| Specific Gravity | 1.233 |
| color | Green to brown |
| Water Solubility | 0.468 g/L (20 ºC) |
| Merck | 14,6584 |
| BRN | 1865361 |
| Henry's Law Constant | 5.0×100 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| Dielectric constant | 24.0(20℃) |
| Stability | Stable. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3 |
| InChIKey | BNUHAJGCKIQFGE-UHFFFAOYSA-N |
| SMILES | COc1ccc(cc1)[N+]([O-])=O |
| CAS DataBase Reference | 100-17-4(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 52/53-68 |
| Safety Statements | 61-36/37 |
| RIDADR | UN 2730 6.1/PG III (NITROANISOLES, LIQUID) |
| RIDADR | UN 3458 6.1/PG III (NITROANISOLES, SOLID) |
| WGK Germany | 1 |
| RTECS | BZ8800000 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29093090 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Aquatic Chronic 3 Carc. 2 |