2,2-Bis(bromomethyl)propane-1,3-diol
- Product Name2,2-Bis(bromomethyl)propane-1,3-diol
- CAS3296-90-0
- MFC5H10Br2O2
- MW261.94
- EINECS221-967-7
- MOL File3296-90-0.mol
Chemical Properties
| Melting point | 112-114 °C(lit.) |
| Boiling point | 235°C (rough estimate) |
| Density | 1.8049 (rough estimate) |
| vapor pressure | 10 mm Hg ( 178 °C) |
| refractive index | 1.5120 (estimate) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Chloroform (Slightly, Heated), Methanol (Slightly, Heated) |
| form | Solid |
| pka | 13.57±0.10(Predicted) |
| color | White to Off-White |
| Water Solubility | 19.4g/L at 20℃ |
| Henry's Law Constant | 2.4×103 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2 |
| InChIKey | CHUGKEQJSLOLHL-UHFFFAOYSA-N |
| SMILES | OCC(CO)(CBr)CBr |
| LogP | 1.08 |
| CAS DataBase Reference | 3296-90-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 1,3-Propanediol, 2,2-bis(bromomethyl)(3296-90-0) |
Safety Information
| Hazard Codes | T,Xn |
| Risk Statements | 45-36/37/38-40-22 |
| Safety Statements | 53-23-26-36/37/39-45-36/37 |
| RIDADR | 2811 |
| WGK Germany | 3 |
| RTECS | TY3195500 |
| TSCA | TSCA listed |
| HS Code | 29055900 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Carc. 1B Muta. 1B |
| Hazardous Substances Data | 3296-90-0(Hazardous Substances Data) |
