HuagongsheHuagongshe Chemistry Print Report · For research reference only
(R)-2-(4-Nitrophenyl)oxirane
(r)-4-nitrostyrene oxide · Oxirane,2-(4-nitrophenyl)-, (2R)-
Identifiers & Physical Properties
| CAS No. | 78038-43-4 |
|---|---|
| Molecular formula | C8H7NO3 |
| Average molar mass | 165.15 g/mol |
| Monoisotopic mass | 165.04259308 g/mol |
| SMILES | O=[N+]([O-])c1ccc([C@@H]2CO2)cc1 |
| InChIKey | YKIUTLHCSNCTDZ-QMMMGPOBSA-N |
| PubChem CID | 1237170 |
| EC No. | 625-691-1 |
| DTXSID | DTXSID70361256 |
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 |
| Drugs | Pharmaceuticals -> Listed in ZINC15 |
| Boiling point | 302.7±30.0 °C(Predicted) |
| Density | 1.372±0.06 g/cm3(Predicted) |
| 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. |
|---|---|
| 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
(R)-(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.