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CS-W001157 4
Total: USD 88.00

4-Bromo-3,5-difluorobenzonitrile

  • CAS No. 123688-59-5

  • Cat. No. CS-0098713
  • Purity≥98%
  • MDL No.MFCD11845964

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

4-Bromo-3,5-difluorobenzonitrile|CS-0098713

Structure of 123688-59-5

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General Information

  • CAS No. 123688-59-5
  • Cat. No. CS-0098713
  • Purity ≥98%
  • MDL No. MFCD11845964
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₂BrF₂N
  • Molecular Weight 218.00
  • Synonym(s) 2-bromo-5-cyano-1,3-difluorobenzene
  • SMILES N#CC1=CC(F)=C(C(F)=C1)Br

Synthesis

  • Route1

    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
    • In-stock
      4-Amino-3,5-difluorobenzonitrile|CS-W018653
      110301-23-0
    • Cuprous bromide, 99.99% metals basis|CS-0676520
      7787-70-4
    • ~%
    • In-stock
      4-Bromo-3,5-difluorobenzonitrile|CS-0098713
      123688-59-5

    References

    • Seiko Epson Corporation Patent: US4883609 A1, 1989 ;
  • Route3

    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

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   23.79
  • LogP   2.59898
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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