HuagongsheHuagongshe Chemistry Print Report · For research reference only
Phenethyl tosylate
PFB-TOSYLATE · TIMTEC-BB SBB006308 · 2-Phenylethyltosylate · [2-(Tosyloxy)ethyl]benzene · PHENETHYL P-TOLUENESULFONATE · pentafluoro-P-toluenesulphonate · 2-PHENYLETHYL P-TOLUENESULFONATE · Phenethyl p-Toluenesulfonate >Phenethyl p-Toluenesulfonate
Identifiers & Physical Properties
| CAS No. | 4455-09-8 |
|---|---|
| Molecular formula | C15H16O3S |
| Average molar mass | 276.4 g/mol |
| Monoisotopic mass | 276.08201554 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)OCCc2ccccc2)cc1 |
| InChIKey | CVPPUZPZPFOFPK-UHFFFAOYSA-N |
| PubChem CID | 20522 |
| DTXSID | DTXSID80196218 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 51.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 344 |
| Melting point | 78 °C |
| Boiling point | 428.7±24.0 °C(Predicted) |
| Density | 1.196±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Physical state | powder to crystal |
| Color | White to Almost white |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
| Hazard symbols | Xi |
| Customs code | 2904.10.3700 |
| Hazard class | IRRITANT |
Safety & Regulations
| Customs code | 2904.10.3700 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Hazard class | IRRITANT |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |