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3-(2-Hydroxyethoxy)benzonitrile

  • CAS No. 57928-93-5

  • Cat. No. CS-0504893
  • Molecule weight163.17
  • Purity≥98%
  • MDL No.MFCD09743450

*For research and further manufacturing use only, not for direct human use.

3-(2-Hydroxyethoxy)benzonitrile|CS-0504893

Structure of 57928-93-5

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General Information

  • CAS No. 57928-93-5
  • Cat. No. CS-0504893
  • Purity ≥98%
  • MDL No. MFCD09743450
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) UKRORGSYN-BB BBV-089045
  • SMILES N#CC1=CC=CC(OCCO)=C1

Synthesis

  • Route1
    • (3-Cyanophenoxy) acetic acid ethyl ester|CS-0208989
      55197-25-6
    • ~89%
    • 3-(2-Hydroxyethoxy)benzonitrile|CS-0504893
      57928-93-5

    References

    • Takeda Pharmaceutical Company Limited Patent: EP1953148 A1, 2008 ; Location in patent: Page/Page column 118 ; EP 1953148 A1
  • Route2
    • null|null
      905576-50-3
    • ~74%
    • 3-(2-Hydroxyethoxy)benzonitrile|CS-0504893
      57928-93-5

    References

    • AJINOMOTO CO., INC. Patent: WO2006/83003 A1, 2006 ; Location in patent: Page/Page column 31 ;
  • Route3

    References

    • Boyd; Marle Journal of the Chemical Society, 1914 , vol. 105, p. 2123

Safety Information

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Computational Chemistry Data

  • TPSA   53.25
  • LogP   0.92938
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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