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CS-W001157 4
Total: USD 88.00

3-Cyano-4-fluorobenzoic acid

  • CAS No. 171050-06-9

  • Cat. No. CS-WAA0109
  • Purity≥97%
  • MDL No.MFCD03094339

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

3-Cyano-4-fluorobenzoic acid|CS-WAA0109

Structure of 171050-06-9

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General Information

  • CAS No. 171050-06-9
  • Cat. No. CS-WAA0109
  • Purity ≥97%
  • MDL No. MFCD03094339
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄FNO₂
  • Molecular Weight 165.12
  • Synonym(s) QVR DF CCN [WLN]
  • SMILES O=C(O)C1=CC=C(F)C(C#N)=C1

Synthesis

  • Route1

    References

    • Woo, L. W. Lawrence; Bubert, Christian; Sutcliffe, Oliver-B.; Smith, Andrew; Chander, Surinder K.; Mahon, Mary F.; Purohit, Atul; Reed, Michael J.; Potter, Barry V. L. Journal of Medicinal Chemistry, 2007 , vol. 50, # 15 p. 3540 - 3560
  • Route2
    • null|null
      201230-82-2
    • 5-Bromo-2-fluorobenzonitrile Olaparib Impurity|CS-0214082
      179897-89-3
    • ~52%
    • In-stock
      3-Cyano-4-fluorobenzoic acid|CS-WAA0109
      171050-06-9

    References

    • Ku, Thomas W.; Ali, Fadia E.; Bondinell, William E.; Erhard, Karl F.; Huffmann, William F.; et al. Tetrahedron Letters, 1997 , vol. 38, # 18 p. 3131 - 3134
  • Route3

    References

    • WO2011/71570 A1, ;

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   61.09
  • LogP   1.39558
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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