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CS-W001157 4
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5-(2-Bromo-5-fluorophenyl)-1-(tert-butyl)-4-iodo-1H-pyrazole

  • CAS No. 1245643-25-7

  • Cat. No. CS-0338340
  • Molecule weight423.06
  • Purity≥95%
  • MDL No.None

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

5-(2-Bromo-5-fluorophenyl)-1-(tert-butyl)-4-iodo-1H-pyrazole|CS-0338340

Structure of 1245643-25-7

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General Information

  • CAS No. 1245643-25-7
  • Cat. No. CS-0338340
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃BrFIN₂
  • Molecular Weight 423.06
  • Synonym(s) 5-(2-Bromo-5-fluoro-phenyl)-1-tert-butyl-4-iodo-1H-pyrazole
  • SMILES CC(C)(C)N1C(=C(C=N1)I)C2=C(C=CC(=C2)F)Br

Synthesis

  • Route1
    • 5-(2-Bromo-5-fluorophenyl)-1-(tert-Butyl)-1h-pyrazole|CS-0692916
      1246078-72-7
    • ~84%
    • 5-(2-Bromo-5-fluorophenyl)-1-(tert-butyl)-4-iodo-1H-pyrazole|CS-0338340
      1245643-25-7

    References

    • WO2010/111418 A2, ; Page/Page column 100-101 ;

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-H320-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   17.82
  • LogP   4.8113
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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