2-Amino-3-bromo-5-nitrobenzonitrile
- Product Name2-Amino-3-bromo-5-nitrobenzonitrile
- CAS17601-94-4
- MFC7H4BrN3O2
- MW242.03
- EINECS241-574-4
- MOL File17601-94-4.mol
Chemical Properties
| Melting point | 180-185 °C(lit.) |
| Boiling point | 374.8±42.0 °C(Predicted) |
| Density | 1.8856 (rough estimate) |
| refractive index | 1.6200 (estimate) |
| storage temp. | 2-8°C, protect from light |
| pka | -4.23±0.20(Predicted) |
| form | powder to crystal |
| color | Light orange to Yellow to Green |
| InChI | 1S/C7H4BrN3O2/c8-6-2-5(11(12)13)1-4(3-9)7(6)10/h1-2H,10H2 |
| InChIKey | MUHLVSZIVTURCZ-UHFFFAOYSA-N |
| SMILES | Nc1c(Br)cc(cc1C#N)[N+]([O-])=O |
| CAS DataBase Reference | 17601-94-4(CAS DataBase Reference) |
| EPA Substance Registry System | Benzonitrile, 2-amino-3-bromo-5-nitro- (17601-94-4) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-36/39-36 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| 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 |
