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CS-W001157 4
Total: USD 88.00

4-Chloro-2,5-difluorobenzonitrile

  • CAS No. 135748-35-5

  • Cat. No. CS-0063913
  • Purity≥97%
  • MDL No.None

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

4-Chloro-2,5-difluorobenzonitrile|CS-0063913

Structure of 135748-35-5

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General Information

  • CAS No. 135748-35-5
  • Cat. No. CS-0063913
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₂ClF₂N
  • Molecular Weight 173.55
  • Synonym(s) None
  • SMILES N#CC1=CC(F)=C(Cl)C=C1F

Description

4-Chloro-2,5-difluorobenzonitrile features a trifunctional aromatic core with complementary reactivity for cross-coupling and nucleophilic substitution. The electron-deficient ring enables efficient palladium-catalyzed coupling, while the nitrile group serves as a handle for downstream derivatization. This bench-stable building block supports rapid access to bioactive heterocycles and pharmaceutical intermediates under standard conditions.

Application

4-Chloro-2,5-difluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of substituted heterocycles via nucleophilic aromatic substitution. Its orthogonal reactivity profile—combining electrophilic sites at the 4-chloro position with electron-withdrawing nitrile and fluorine groups—facilitates selective functionalization under mild conditions. The compound exhibits excellent bench stability, simplifies purification, and supports scalable transformations in multi-step synthetic sequences.

Synthesis

  • Route1
    • 4-Chloro-2,5-difluorobenzamide|CS-0260240
      508203-26-7
    • ~%
    • In-stock
      4-Chloro-2,5-difluorobenzonitrile|CS-0063913
      135748-35-5

    References

    • Negoro, Kenji; Yonetoku, Yasuhiro; Misawa-Mukai, Hana; Hamaguchi, Wataru; Maruyama, Tatsuya; Yoshida, Shigeru; Takeuchi, Makoto; Ohta, Mitsuaki Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 17 p. 5235 - 5246
  • Route2
    • null|null
      132794-08-2
    • ~%
    • In-stock
      4-Chloro-2,5-difluorobenzonitrile|CS-0063913
      135748-35-5

    References

    • Bioorganic and Medicinal Chemistry, , vol. 20, # 17 p. 5235 - 5246
  • Route3

    References

    • Bioorganic and Medicinal Chemistry, , vol. 20, # 17 p. 5235 - 5246

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

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.48988
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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