3-Bromonitrobenzene
- Product Name3-Bromonitrobenzene
- CAS585-79-5
- MFC6H4BrNO2
- MW202.01
- EINECS209-563-9
- MOL File585-79-5.mol
Chemical Properties
| Melting point | 51-54 °C |
| Boiling point | 256 °C |
| Density | 1.704 |
| refractive index | 1.6050 (estimate) |
| Flash point | 113 °C |
| storage temp. | Refrigerator |
| solubility | 10g/l |
| form | Solid |
| color | Off-White to Pale Yellow |
| BRN | 2043212 |
| Henry's Law Constant | 5.3×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| InChI | InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H |
| InChIKey | FWIROFMBWVMWLB-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=CC([N+]([O-])=O)=C1 |
| CAS DataBase Reference | 585-79-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-bromo-3-nitro-(585-79-5) |
| EPA Substance Registry System | Benzene, 1-bromo-3-nitro- (585-79-5) |
Safety Information
| Hazard Codes | Xn,T,Xi |
| Risk Statements | 36/37/38-20/21/22-33-23/24/25 |
| Safety Statements | 36/37/39-26-22-45-37-28A-28-37/39 |
| RIDADR | 2732 |
| WGK Germany | 3 |
| RTECS | CY9040500 |
| Hazard Note | Harmful |
| TSCA | TSCA listed |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29049090 |
| Storage Class | 11 - Combustible Solids |