2,3,4,5,6-Pentabromotoluene
- Product Name2,3,4,5,6-Pentabromotoluene
- CAS87-83-2
- MFC7H3Br5
- MW486.62
- EINECS201-774-4
- MOL File87-83-2.mol
Chemical Properties
| Melting point | 285-286 °C(lit.) |
| Boiling point | 356.78°C (rough estimate) |
| Density | 3.0088 (rough estimate) |
| refractive index | 1.6303 (estimate) |
| storage temp. | 2-8°C |
| solubility | Benzene (Slightly), Chloroform (Slightly, Heated), DMSO (Slightly, Heated) |
| form | Solid |
| color | White to Off-White |
| Water Solubility | Insoluble in water. |
| Henry's Law Constant | 4.0×10-1 mol/(m3Pa) at 25℃, Xiao et al. (2012) |
| Stability | Stable. |
| Major Application | environmental |
| InChI | InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3 |
| InChIKey | OZHJEQVYCBTHJT-UHFFFAOYSA-N |
| SMILES | C1(Br)=C(C)C(Br)=C(Br)C(Br)=C1Br |
| CAS DataBase Reference | 87-83-2(CAS DataBase Reference) |
| EPA Substance Registry System | Pentabromomethylbenzene (87-83-2) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| RIDADR | UN 3077 9/PG III |
| WGK Germany | 3 |
| RTECS | DA6639500 |
| TSCA | TSCA listed |
| HazardClass | 9 |
| PackingGroup | III |
| HS Code | 29033919 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Hazardous Substances Data | 87-83-2(Hazardous Substances Data) |
