4468-59-1
| Name | 4-HYDROXY-3-METHOXYPHENYLACETONITRILE |
| CAS | 4468-59-1 |
| EINECS(EC#) | 224-739-5 |
| Molecular Formula | C9H9NO2 |
| MDL Number | MFCD00001920 |
| Molecular Weight | 163.17 |
| MOL File | 4468-59-1.mol |
Chemical Properties
| Melting point | 56-57 °C (lit.) |
| Boiling point | 135-145 °C/2 mmHg (lit.) |
| density | 1.2021 (rough estimate) |
| refractive index | 1.5270 (estimate) |
| form | powder |
| pka | 9.69±0.18(Predicted) |
| color | Off-white |
| InChI | 1S/C9H9NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4H2,1H3 |
| InChIKey | SDVYWMWQCJEYTC-UHFFFAOYSA-N |
| SMILES | COc1cc(CC#N)ccc1O |
| CAS DataBase Reference | 4468-59-1(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN3439 |
| WGK Germany | 3 |
| HazardClass | IRRITANT-HARMFUL |
| HS Code | 2926907090 |
| 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 |