
117572-79-9
| Name | 3-Bromo-4-methoxybenzonitrile |
| CAS | 117572-79-9 |
| EINECS(EC#) | 601-486-2 |
| Molecular Formula | C8H6BrNO |
| MDL Number | MFCD03789249 |
| Molecular Weight | 212.04 |
| MOL File | 117572-79-9.mol |
Chemical Properties
| Melting point | 122-124 °C (lit.) |
| Boiling point | 282.8±20.0 °C(Predicted) |
| density | 1.56±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Soluble in methanol. |
| form | powder to crystal |
| color | White to Light yellow to Light orange |
| BRN | 3246576 |
| InChI | 1S/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3 |
| InChIKey | QHWZMDRKTYTPEE-UHFFFAOYSA-N |
| SMILES | COc1ccc(cc1Br)C#N |
| CAS DataBase Reference | 117572-79-9(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3439 |
| WGK Germany | 3 |
| Hazard Note | Harmful/Irritant |
| 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 |