HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,3-Dibromoacetone-2-13C
NSC 249810-13C · 1,3-DIBROMOACETONE-2-13C · 1,3-DibroMo-2-propanone-13C · Bis(broMoMethyl) Ketone-13C
Identifiers & Physical Properties
| CAS No. | 1190006-20-2 |
|---|---|
| Molecular formula | C3H4Br2O |
| Average molar mass | 216.86 g/mol |
| Monoisotopic mass | 214.86624 g/mol |
| SMILES | O=[13C](CBr)CBr |
| InChIKey | LQQKDSXCDXHLLF-LBPDFUHNSA-N |
| PubChem CID | 45038955 |
| DTXSID | DTXSID30661906 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 6 |
| Formal charge | 0 |
| Complexity | 46.8 |
| Density | 2.126±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| Solubility | Acetone, Chloroform, Dichloromethane, Methanol |
| Physical state | Oil |
| Color | Light Brown |
| CAS DataBase Reference | 1190006-20-2 |
Applications & Uses
Uses
1,3-Dibromoacetone-2-13C (cas# 1190006-20-2) is a compound useful in organic synthesis.