1-Bromo-4-nitrobenzene
- Product Name1-Bromo-4-nitrobenzene
- CAS586-78-7
- MFC6H4BrNO2
- MW202.01
- EINECS209-583-8
- MOL File586-78-7.mol
Chemical Properties
| Melting point | 124-126 °C(lit.) |
| Boiling point | 255-256 °C(lit.) |
| Density | 1,95 g/cm3 |
| refractive index | 1.6060 (estimate) |
| Flash point | 254-256°C |
| storage temp. | Store below +30°C. |
| solubility | soluble in Chloroform |
| form | Crystalline Powder |
| color | Light yellow |
| Water Solubility | insoluble |
| BRN | 636964 |
| Henry's Law Constant | 2.2×10-1 mol/(m3Pa) at 25℃, Li et al. (2014) |
| InChI | 1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H |
| InChIKey | ZDFBKZUDCQQKAC-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(Br)cc1 |
| CAS DataBase Reference | 586-78-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-bromo-4-nitro-(586-78-7) |
| EPA Substance Registry System | Benzene, 1-bromo-4-nitro- (586-78-7) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-36/37/38-20/21/22-62-51/53-46-45 |
| Safety Statements | 36/37/39-26-22-61-53-45 |
| RIDADR | UN 2732 6.1/PG III (NITROBROMOBENZENES, LIQUID) |
| RIDADR | UN 3459 6.1/PG III (NITROBROMOBENZENES, SOLID) |
| WGK Germany | 3 |
| RTECS | CY9040550 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29049085 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Oral |
