HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)-
Cyhalothrin Impurity 15 · (R)-Hydroxy(3-phenoxyphenyl)acetonitrile · (R)-α-Hydroxy-3-phenoxybenzeneacetonitrile · (αR)-α-Hydroxy-3-phenoxybenzeneacetonitrile · (2R)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile · Benzeneacetonitrile, α-hydroxy-3-phenoxy-, (αR)-
Identifiers & Physical Properties
| CAS No. | 71962-66-8 |
|---|---|
| Molecular formula | C14H11NO2 |
| Average molar mass | 225.24 g/mol |
| Monoisotopic mass | 225.07897859 g/mol |
| SMILES | N#C[C@H](O)c1cccc(Oc2ccccc2)c1 |
| InChIKey | GXUQMKBQDGPMKZ-AWEZNQCLSA-N |
| PubChem CID | 156232 |
| DTXSID | DTXSID401349421 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 53.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 277 |
Applications & Uses
Uses
(αR)-α-Hydroxy-3-phenoxybenzeneacetonitrile is used as a reagent in the synthesis of (1R)-trans-Lambda-Cyhalothrin (L170000); an isomer of λ-Cyhalothrin (C988980) which is used as an insecticide.