3958-57-4
| Name | 3-Nitrobenzyl bromide |
| CAS | 3958-57-4 |
| EINECS(EC#) | 223-557-3 |
| Molecular Formula | C7H6BrNO2 |
| MDL Number | MFCD00007271 |
| Molecular Weight | 216.03 |
| MOL File | 3958-57-4.mol |
Chemical Properties
| Appearance | Pale Yellow Crystalline Solid |
| Melting point | 58-59 °C(lit.) |
| Boiling point | 153-154 °C (7 mmHg) |
| density | 1.6841 (rough estimate) |
| refractive index | 1.6120 (estimate) |
| Fp | 153-154°C/7mm |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | Dichloromethane, Hot Ethanol |
| form | Crystalline Powder or Crystals |
| color | Yellow to light brown |
| Water Solubility | insoluble |
| Detection Methods | HPLC,NMR |
| 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 | 3958-57-4(EPA Substance) |
Safety Data
| Symbol(GHS) |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H314-H335 |
| Precautionary statements | P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338 |
| Hazard Codes | C |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| TSCA | Yes |
| 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 |
