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CS-W001157 4
Total: USD 88.00

2-Fluorobenzene-1,4-dicarbonitrile

  • CAS No. 1897-53-6

  • Cat. No. CS-0054302
  • Purity≥95%
  • MDL No.None

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

2-Fluorobenzene-1,4-dicarbonitrile|CS-0054302

Structure of 1897-53-6

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General Information

  • CAS No. 1897-53-6
  • Cat. No. CS-0054302
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₃FN₂
  • Molecular Weight 146.12
  • Synonym(s) 2-Fluoroterephthalonitrile
  • SMILES N#CC1=CC=C(C#N)C=C1F

Description

2-Fluorobenzene-1,4-dicarbonitrile features a fluorinated aromatic core with two nitrile groups positioned at para relationship, delivering enhanced electron-withdrawing character and improved solubility in polar organic solvents. This structural motif enables efficient integration into conjugated systems for materials chemistry applications.

Application

2-Fluorobenzene-1,4-dicarbonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of fluorinated heterocycles and functionalized aromatics. Its dual nitrile groups facilitate nucleophilic addition and cyclization reactions, while the ortho-fluoro substituent supports directed metalation and cross-coupling processes. The compound exhibits excellent bench stability and compatibility with standard purification techniques, making it a reliable reagent for medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • 4-Cyano-2-fluorobenzamide|CS-1187072
      1046447-03-3
    • ~%
    • In-stock
      2-Fluorobenzene-1,4-dicarbonitrile|CS-0054302
      1897-53-6

    References

    • US2008/194694 A1, ; Page/Page column 22 ;
  • Route2
    • null|null
      557-21-1
    • In-stock
      4-Bromo-2-fluorobenzonitrile|CS-W007363
      105942-08-3
    • ~%
    • In-stock
      2-Fluorobenzene-1,4-dicarbonitrile|CS-0054302
      1897-53-6

    References

    • US2007/225282 A1, ; Page/Page column 27 ; US 20070225282 A1
  • Route3
    • null|null
      544-92-3
    • In-stock
      4-Bromo-2-fluorobenzonitrile|CS-W007363
      105942-08-3
    • ~%
    • In-stock
      2-Fluorobenzene-1,4-dicarbonitrile|CS-0054302
      1897-53-6

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 20 p. 2925 - 2930

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   47.58
  • LogP   1.56906
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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