17601-94-4
| Name | 2-Amino-3-bromo-5-nitrobenzonitrile |
| CAS | 17601-94-4 |
| EINECS(EC#) | 241-574-4 |
| Molecular Formula | C7H4BrN3O2 |
| MDL Number | MFCD00054185 |
| Molecular Weight | 242.03 |
| MOL File | 17601-94-4.mol |
Chemical Properties
| Appearance | yellow powder |
| 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 |
| form | powder to crystal |
| pka | -4.23±0.20(Predicted) |
| 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 | 17601-94-4(EPA Substance) |
Safety Data
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | Yes |
| 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 |