3-Nitrobenzyl bromide
- Product Name3-Nitrobenzyl bromide
- CAS3958-57-4
- MFC7H6BrNO2
- MW216.03
- EINECS223-557-3
- MOL File3958-57-4.mol
Chemical Properties
| Melting point | 58-59 °C(lit.) |
| Boiling point | 153-154 °C (7 mmHg) |
| Density | 1.6841 (rough estimate) |
| refractive index | 1.6120 (estimate) |
| Flash point | 153-154°C/7mm |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | Dichloromethane, Hot Ethanol |
| form | Crystalline Powder or Crystals |
| color | Yellow to light brown |
| Water Solubility | insoluble |
| BRN | 742795 |
| InChI | 1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2 |
| InChIKey | LNWXALCHPJANMJ-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cccc(CBr)c1 |
| CAS DataBase Reference | 3958-57-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-(bromomethyl)-3-nitro-(3958-57-4) |
| EPA Substance Registry System | Benzene, 1-(bromomethyl)-3-nitro- (3958-57-4) |
Safety Information
| Hazard Codes | C |
| Risk Statements | 34-36/37 |
| Safety Statements | 26-27-28-36/37/39-45 |
| RIDADR | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 29049090 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Eye Dam. 1 Skin Corr. 1B STOT SE 3 |