4-Amino-3-bromobenzonitrile
- Product Name4-Amino-3-bromobenzonitrile
- CAS50397-74-5
- MFC7H5BrN2
- MW197.03
- EINECS
- MOL File50397-74-5.mol
Chemical Properties
| Melting point | 106-110 °C(lit.) |
| Boiling point | 300.3±27.0 °C(Predicted) |
| Density | 1.6480 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | soluble in Methanol |
| pka | -0.34±0.10(Predicted) |
| form | crystalline powder |
| color | Gold (hint of orange) |
| InChI | InChI=1S/C7H5BrN2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,10H2 |
| InChIKey | POESQIHWIIWNJL-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(N)C(Br)=C1 |
| CAS DataBase Reference | 50397-74-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-43-36/37/38-20/21/22 |
| Safety Statements | 36/37-36/37/39-26-22 |
| RIDADR | 3439 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Skin Sens. 1 |
