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CS-W001157 4
Total: USD 88.00

4-(Aminooxy)benzonitrile

  • CAS No. 94831-79-5

  • Cat. No. CS-0239877
  • Purity≥95%
  • MDL No.None

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

4-(Aminooxy)benzonitrile|CS-0239877

Structure of 94831-79-5

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General Information

  • CAS No. 94831-79-5
  • Cat. No. CS-0239877
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂O
  • Molecular Weight 134.14
  • Synonym(s) 4-Aminooxybenzonitrile
  • SMILES N#CC1=CC=C(ON)C=C1

Synthesis

  • Route1
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~59%
    • 4-(Aminooxy)benzonitrile|CS-0239877
      94831-79-5

    References

    • Mavunkel, B. J.; Rzeszotarski, W. J.; Kaplita, P. V.; DeHaven-Hudkins, D. L. European Journal of Medicinal Chemistry, 1994 , vol. 29, # 9 p. 659 - 666
  • Route2
    • null|null
      1239023-51-8
    • ~%
    • 4-(Aminooxy)benzonitrile|CS-0239877
      94831-79-5

    References

    • Gaucher-Wieczorek, Florence S.; Maillard, Ludovic T.; Badet, Bernard; Durand, Philippe Journal of Combinatorial Chemistry, 2010 , vol. 12, # 5 p. 655 - 658
  • Route3
    • null|null
      1194-02-1
    • ~%
    • 4-(Aminooxy)benzonitrile|CS-0239877
      94831-79-5

    References

    • Miyazawa, Etsuko; Sakamoto, Takeshi; Kikugawa, Yasuo Organic Preparations and Procedures International, 1997 , vol. 29, # 5 p. 594 - 600

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   59.04
  • LogP   0.81078
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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