HuagongsheHuagongshe Chemistry Print Report · For research reference only
(S)-2-(4-Nitrophenyl)oxirane
(s)-4-nitrostyrene oxide · (S)-p-Nitrostyrene oxide · (S)-(4-Nitrophenyl)oxirane · (S)-2-(4-Nitrophenyl)oxirane · (2S)-2β-(4-Nitrophenyl)oxirane · Oxirane, 2-(4-nitrophenyl)-, (2S)-
Identifiers & Physical Properties
| CAS No. | 78038-42-3 |
|---|---|
| Molecular formula | C8H7NO3 |
| Average molar mass | 165.15 g/mol |
| Monoisotopic mass | 165.04259309 g/mol |
| SMILES | O=[N+]([O-])c1ccc([C@H]2CO2)cc1 |
| InChIKey | YKIUTLHCSNCTDZ-MRVPVSSYSA-N |
| PubChem CID | 1237169 |
| EC No. | 625-073-1 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 58.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 181 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501 |
| Hazard symbols | Xn |
| Risk statements (R) | 22 |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Risk statements (R) | 22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| GHS hazard statements | H302 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501 |
Applications & Uses
Uses
(S)-(4-Nitrophenyl)oxirane is used as a reagent in the enantioconvergent synthesis of the β-blocker (R)-Nifenalol which is based on a combined chemoenzymic approach.