Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)-

HCID 156232CAS 71962-66-8

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Basic information

Standard SMILES: N#C[C@H](O)c1cccc(Oc2ccccc2)c1
InChIKey: GXUQMKBQDGPMKZ-AWEZNQCLSA-N
Molecular formula: C14H11NO2
Average molar mass: 225.24 g/mol
Monoisotopic mass: 225.07897859

Names & identifiers

Preferred name: Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)-
IUPAC: (2R)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile
English name: (2R)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile
Molecular formula: C14H11NO2
Molecular weight: 225.24

Names & synonyms

71962-66-8Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)-RefChem:324346(2R)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile(R)-3-Phenoxy-mandelonitrileBenzeneacetonitrile, a-hydroxy-3-phenoxy-, (aR)-(R)-2-Hydroxy-2-(3-phenoxyphenyl)acetonitrile(alphaR)-alpha-Hydroxy-3-phenoxybenzeneacetonitrileCyhalothrin Impurity 15SCHEMBL3880467DTXSID401349421(R)alpha-cyano-3-phenoxybenzyl alcohol

Show more names

(R)-Hydroxy(3-phenoxyphenyl)acetonitrile(R)-α-Hydroxy-3-phenoxybenzeneacetonitrile(αR)-α-Hydroxy-3-phenoxybenzeneacetonitrileBenzeneacetonitrile, α-hydroxy-3-phenoxy-, (αR)-

(R)-alpha-cyano-3-phenoxybenzyl alcohol(R)alpha-cyano-3-phenoxy-benzyl alcohol(R)-alpha-hydroxy-3-phenoxy-benzeneacetonitrile

Database identifiers

CAS: 71962-66-8
PubChem CID: 156232
DTXSID: DTXSID401349421
Nikkaji: J274.182B

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 53.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 277

Chemistry & industry

Applications

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.