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CS-W001157 4
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1-Fluoro-2-nitro-4-(trifluoromethoxy)benzene

  • CAS No. 124170-06-5

  • Cat. No. CS-0084848
  • Molecule weight225.10
  • Purity≥98%
  • MDL No.MFCD00042300

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

1-Fluoro-2-nitro-4-(trifluoromethoxy)benzene|CS-0084848

Structure of 124170-06-5

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General Information

  • CAS No. 124170-06-5
  • Cat. No. CS-0084848
  • Purity ≥98%
  • MDL No. MFCD00042300
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₄NO₃
  • Molecular Weight 225.10
  • Synonym(s) 2,4-Difluoro-3-(trifluoromethyl)bromobenzene
  • SMILES FC(F)(F)OC1=CC=C(F)C([N+]([O-])=O)=C1

Description

1-Fluoro-2-nitro-4-(trifluoromethoxy)benzene features a trifluoromethoxy group that enhances electron-withdrawal and metabolic stability, while the fluorine and nitro substituents enable selective electrophilic functionalization. This aryl halide serves as a robust scaffold for C–C and C–heteroatom bond formation under mild conditions.

Application

1-Fluoro-2-nitro-4-(trifluoromethoxy)benzene serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its ortho-fluoro substitution and electron-withdrawing nitro and trifluoromethoxy groups. Its bench-stable nature and compatibility with diverse nucleophiles facilitate efficient synthesis of complex aryl scaffolds for API development.

Synthesis

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    • ~0%
    • In-stock
      4-Fluoro-2-nitro-1-(trifluoromethoxy)benzene|CS-0059210
      123572-62-3
    • In-stock
      1-Fluoro-2-nitro-4-(trifluoromethoxy)benzene|CS-0084848
      124170-06-5

    References

    • Clark, Robert D. Journal of Agricultural and Food Chemistry, 1996 , vol. 44, # 11 p. 3643 - 3652
  • Route2
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      352-67-0
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      7697-37-2
    • ~%
    • In-stock
      4-Fluoro-2-nitro-1-(trifluoromethoxy)benzene|CS-0059210
      123572-62-3
    • In-stock
      1-Fluoro-2-nitro-4-(trifluoromethoxy)benzene|CS-0084848
      124170-06-5

    References

    • WO2004/46120 A2, ; Page 191 ; WO 2004/046120 A2

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   2.6325
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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