Chemical identity

(S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile

CAS 61826-76-4 · C14H11NO2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-00786
PubChem CID9837437
Name(S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile
CAS RN61826-76-4
Molecular formulaC14H11NO2
Molecular weight225.25 g/mol
IUPAC name(S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile
InChIKeyGXUQMKBQDGPMKZ-CQSZACIVSA-N

02Structure identifiers

2D structurePubChem CID 9837437
2D structure: (S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile, CAS 61826-76-4
Structure of (S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile (CAS 61826-76-4). LazyChem record. Source identity: PubChem CID 9837437. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC14H11NO2
InChIKeyGXUQMKBQDGPMKZ-CQSZACIVSA-N
Ring count2
Defined stereocentres1
Unassigned stereocentres0
SMILESC1=CC=C(C=C1)OC2=CC=CC(=C2)[C@@H](C#N)O
InChIInChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H/t14-/m1/s1

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 61826-76-4 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 61826-76-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Deltamethrin

View API and impurity family

Other names

  • (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile
  • (S)-2-Hydroxy-2-(3-phenoxyphenyl)acetonitrile
  • (S)-3-Phenoxybenzaldehyde cyanohydrin
  • (S)-3-Phenoxy-mandelonitrile
  • (S)-alpha-hydroxy-3-phenoxy-benzeneacetonitrile
  • (S)-alpha-cyano-3-phenoxybenzyl alcohol

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources