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CS-W001157 4
Total: USD 88.00

3,4-Dichlorobenzotrifluoride

  • CAS No. 328-84-7

  • Cat. No. CS-W014913
  • Molecule weight215.00
  • Purity≥98%
  • MDL No.MFCD00000555

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

3,4-Dichlorobenzotrifluoride|CS-W014913

Structure of 328-84-7

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General Information

  • CAS No. 328-84-7
  • Cat. No. CS-W014913
  • Purity ≥98%
  • MDL No. MFCD00000555
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃Cl₂F₃
  • Molecular Weight 215.00
  • Synonym(s) 3,4-dichloro-α,α,α-trifluorotoluene
  • SMILES FC(F)(F)C1=CC=C(Cl)C(Cl)=C1

Application

3,4-Dichlorobenzotrifluoride serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering enhanced metabolic stability through the trifluoromethyl group. Its dichloro substitution pattern enables regioselective functionalization via palladium-catalyzed cross-coupling reactions, while maintaining bench stability and compatibility with common protecting groups. The molecule functions as a versatile scaffold for constructing bioactive heterocycles and fluorinated aromatic systems.

Synthesis

  • Route1

    References

    • US4937396 A1, ;
  • Route2
    • null|null
      121-17-5
    • ~65%
    • In-stock
      3,4-Dichlorobenzotrifluoride|CS-W014913
      328-84-7

    References

    • Bay, Elliott; Timony, Peter E.; Leone-Bay, Andrea Journal of Organic Chemistry, 1988 , vol. 53, # 12 p. 2858 - 2859
  • Route3
    • null|null
      98-56-6
    • ~81%
    • In-stock
      3,4-Dichlorobenzotrifluoride|CS-W014913
      328-84-7
    • 2,4,5-Trichlorobenzotrifluoride|CS-0762187
      56148-83-5
    • In-stock
      1,2,3-Trichloro-5-(trifluoromethyl)benzene|CS-W012655
      50594-82-6

    References

    • US2009/240083 A1, ; Page/Page column 3 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3082
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H315-H319-H411
Precautionary Statements : P264-P270-P273-P280-P302+P352-P330-P362+P364-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   4.0122
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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