3586-12-7
| Name | 3-PHENOXYANILINE |
| CAS | 3586-12-7 |
| EINECS(EC#) | 222-715-9 |
| Molecular Formula | C12H11NO |
| MDL Number | MFCD00041891 |
| Molecular Weight | 185.22 |
| MOL File | 3586-12-7.mol |
Chemical Properties
| Melting point | 41-44 °C (lit.) |
| Boiling point | 329-330 °C (lit.) |
| density | 1,158 g/cm3 |
| refractive index | 1.1583 |
| Fp | >230 °F |
| storage temp. | 2-8°C, protect from light |
| form | solid |
| pka | 3.87±0.10(Predicted) |
| Appearance | Gray to brown Solid |
| Water Solubility | Slightly soluble in water. |
| InChI | 1S/C12H11NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H,13H2 |
| InChIKey | UCSYVYFGMFODMY-UHFFFAOYSA-N |
| SMILES | Nc1cccc(Oc2ccccc2)c1 |
| CAS DataBase Reference | 3586-12-7(CAS DataBase Reference) |
| Storage Precautions | Store under inert gas |
| EPA Substance Registry System | Benzenamine, 3-phenoxy- (3586-12-7) |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29222990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |