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CS-W001157 4
Total: USD 88.00

4-(Benzyloxy)benzonitrile

  • CAS No. 52805-36-4

  • Cat. No. CS-0186883
  • Molecule weight209.24
  • Purity≥98%
  • MDL No.None

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

4-(Benzyloxy)benzonitrile|CS-0186883

Structure of 52805-36-4

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General Information

  • CAS No. 52805-36-4
  • Cat. No. CS-0186883
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁NO
  • Molecular Weight 209.24
  • Synonym(s) 4-Benzyloxybenzonitrile
  • SMILES C1=CC=C(C=C1)COC2=CC=C(C=C2)C#N

Synthesis

  • Route1
    • null|null
      100-39-0
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~99%
    • In-stock
      4-(Benzyloxy)benzonitrile|CS-0186883
      52805-36-4

    References

    • Lee, Hyosung; Gold, Alexander S.; Yang, Xiao-Fang; Khanna, Rajesh; Kohn, Harold Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 24 p. 7655 - 7662
  • Route2
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • null|null
      100-44-7
    • ~10%
    • In-stock
      4-(Benzyloxy)benzonitrile|CS-0186883
      52805-36-4

    References

    • Pfizer Inc. Patent: US6232476 B1, 2001 ;
  • Route3
    • null|null
      722537-99-7
    • ~85%
    • In-stock
      4-(Benzyloxy)benzonitrile|CS-0186883
      52805-36-4

    References

    • Lamani, Manjunath; Devadig, Pradeep; Prabhu, Kandikere Ramaiah Organic and Biomolecular Chemistry, 2012 , vol. 10, # 14 p. 2753 - 2759

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   3.13728
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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