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CS-W001157 4
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3-Fluoro-5-nitrobenzonitrile

  • CAS No. 110882-60-5

  • Cat. No. CS-0043824
  • Purity≥98%
  • MDL No.None

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

3-Fluoro-5-nitrobenzonitrile|CS-0043824

Structure of 110882-60-5

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General Information

  • CAS No. 110882-60-5
  • Cat. No. CS-0043824
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃FN₂O₂
  • Molecular Weight 166.11
  • Synonym(s) 3-Cyano-5-fluoronitrobenzene
  • SMILES N#CC1=CC([N+]([O-])=O)=CC(F)=C1

Synthesis

  • Route1
    • In-stock
      1-Fluoro-3-iodo-5-nitrobenzene|CS-W006829
      3819-88-3
    • null|null
      557-21-1
    • ~87%
    • In-stock
      3-Fluoro-5-nitrobenzonitrile|CS-0043824
      110882-60-5

    References

    • CYTOKINETICS, INC. Patent: WO2007/70626 A2, 2007 ; Location in patent: Page/Page column 40 ;
  • Route2

    References

    • Chambers, Richard D.; Fox, Mark A.; Sandford, Graham; Trmcic, Jelena; Goeta, Andres Journal of Fluorine Chemistry, 2007 , vol. 128, # 1 p. 29 - 33
  • Route3

    References

    • Adams, David J.; Clark, James H.; Nightingale, David J. Synthetic Communications, 1998 , vol. 28, # 23 p. 4295 - 4301

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   66.93
  • LogP   1.60558
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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