4421-08-3
| Name | 4-Hydroxy-3-methoxybenzonitrile |
| CAS | 4421-08-3 |
| EINECS(EC#) | 224-589-0 |
| Molecular Formula | C8H7NO2 |
| MDL Number | MFCD00001820 |
| Molecular Weight | 149.15 |
| MOL File | 4421-08-3.mol |
Chemical Properties
| Appearance | beige crystalline powder |
| Melting point | 85-87 °C (lit.) |
| Boiling point | 270.21°C (rough estimate) |
| density | 1.2517 (rough estimate) |
| refractive index | 1.5320 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 7.84±0.18(Predicted) |
| color | White to Light yellow to Light orange |
| InChI | 1S/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H3 |
| InChIKey | QJRWLNLUIAJTAD-UHFFFAOYSA-N |
| SMILES | COc1cc(ccc1O)C#N |
| LogP | 1.551 (est) |
| CAS DataBase Reference | 4421-08-3(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3439 |
| WGK Germany | 3 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269090 |
| 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 |