HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(Chloromethyl)-2-ethenylbenzene
1-(chloromethyl)-2-ethenylbenzene · Einecs 245-092-5 · o-Chloromethylstyrene · 2-Chloromethylstyrene · 2-Vinylbenzyl chloride · 2-(Chloromethyl)styrene · 1-(chloromethyl)-2-vinylbenzene · Benzene, 1-(chloromethyl)-2-ethenyl-

Identifiers & Physical Properties
| CAS No. | 22570-84-9 |
|---|---|
| Molecular formula | C9H9Cl |
| Average molar mass | 152.62 g/mol |
| Monoisotopic mass | 152.03927797 g/mol |
| SMILES | C=Cc1ccccc1CCl |
| InChIKey | KKLSEIIDJBCSRK-UHFFFAOYSA-N |
| PubChem CID | 89757 |
| EC No. | 245-092-5 |
| DTXSID | DTXSID10177095 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 109 |
| Boiling point | 223.4±9.0 °C(Predicted) |
| Density | 1.066±0.06 g/cm3(Predicted) |
| InChI | InChI=1S/C9H9Cl/c1-2-8-5-3-4-6-9(8)7-10/h2-6H,1,7H2 |
| InChIKey | KKLSEIIDJBCSRK-UHFFFAOYSA-N |
| SMILES | C1(CCl)=CC=CC=C1C=C |
| FDA UNII | E11K9944ZP |