Bromopropylate
- Product NameBromopropylate
- CAS18181-80-1
- MFC17H16Br2O3
- MW428.12
- EINECS242-070-7
- MOL File18181-80-1.mol
Chemical Properties
| Melting point | 77° |
| Boiling point | 504°C (rough estimate) |
| Density | 1.5582 (rough estimate) |
| refractive index | 1.6010 (estimate) |
| Flash point | >100 °C |
| storage temp. | 0-6°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| pka | 11.18±0.29(Predicted) |
| color | White to Off-White |
| Water Solubility | <0.5mg/L(20 ºC) |
| BRN | 2152560 |
| Henry's Law Constant | 2.1×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Major Application | agriculture environmental |
| InChI | 1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3 |
| InChIKey | FOANIXZHAMJWOI-UHFFFAOYSA-N |
| SMILES | CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2 |
| CAS DataBase Reference | 18181-80-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Bromopropylate(18181-80-1) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 38 |
| WGK Germany | 2 |
| RTECS | DD2100000 |
| HS Code | 29181990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 |
| Hazardous Substances Data | 18181-80-1(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 5000 mg/kg (Kenaga, Allison) |
