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CS-W001157 4
Total: USD 88.00

4-(4-Hydroxyphenoxy)benzonitrile

  • CAS No. 63555-08-8

  • Cat. No. CS-0265423
  • Molecule weight211.22
  • Purity≥95%
  • MDL No.None

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

4-(4-Hydroxyphenoxy)benzonitrile|CS-0265423

Structure of 63555-08-8

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General Information

  • CAS No. 63555-08-8
  • Cat. No. CS-0265423
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉NO₂
  • Molecular Weight 211.22
  • Synonym(s) 4'-Cyano-4-hydroxydiphenylether
  • SMILES C1=C(C=CC(=C1)OC2=CC=C(C=C2)O)C#N

Synthesis

  • Route1
    • null|null
      1194-02-1
    • null|null
      123-31-9
    • ~%
    • 4-(4-Hydroxyphenoxy)benzonitrile|CS-0265423
      63555-08-8

    References

    • Reiter, Lawrence Alan; Freeman-Cook, Kevin Daniel Patent: US2004/6057 A1, 2004 ; Location in patent: Page/Page column 30 ;
  • Route2
    • 4-(4-Methoxyphenoxy)benzonitrile|CS-0209412
      78338-68-8
    • ~%
    • 4-(4-Hydroxyphenoxy)benzonitrile|CS-0265423
      63555-08-8

    References

    • Penning, Thomas D.; Chandrakumar, Nizal S.; Chen, Barbara B.; Chen, Helen Y.; Desai, Bipin N.; Djuric, Stevan W.; Docter, Stephen H.; Gasiecki, Alan F.; Haack, Richard A.; Miyashiro, Julie M.; Russell, Mark A.; Yu, Stella S.; Corley, David G.; Durley, Richard C.; Kilpatrick, Brian F.; Parnas, Barry L.; Askonas, Leslie J.; Gierse, James K.; Harding, Elizabeth I.; Highkin, Maureen K.; Kachur, James F.; Kim, Suzanne H.; Krivi, Gwen G.; Villani-Price, Doreen; Pyla, E. Yvonne; Smith, Walter G.; Ghoreishi-Haack, Nayereh S. Journal of Medicinal Chemistry, 2000 , vol. 43, # 4 p. 721 - 735
  • Route3

    References

    • Penning, Thomas D.; Chandrakumar, Nizal S.; Chen, Barbara B.; Chen, Helen Y.; Desai, Bipin N.; Djuric, Stevan W.; Docter, Stephen H.; Gasiecki, Alan F.; Haack, Richard A.; Miyashiro, Julie M.; Russell, Mark A.; Yu, Stella S.; Corley, David G.; Durley, Richard C.; Kilpatrick, Brian F.; Parnas, Barry L.; Askonas, Leslie J.; Gierse, James K.; Harding, Elizabeth I.; Highkin, Maureen K.; Kachur, James F.; Kim, Suzanne H.; Krivi, Gwen G.; Villani-Price, Doreen; Pyla, E. Yvonne; Smith, Walter G.; Ghoreishi-Haack, Nayereh S. Journal of Medicinal Chemistry, 2000 , vol. 43, # 4 p. 721 - 735

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   53.25
  • LogP   3.05618
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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