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CS-W001157 4
Total: USD 88.00

2-Bromo-1-iodo-4-(trifluoromethyl)benzene

  • CAS No. 481075-58-5

  • Cat. No. CS-0094801
  • Purity≥97%
  • MDL No.MFCD08543938

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

2-Bromo-1-iodo-4-(trifluoromethyl)benzene|CS-0094801

Structure of 481075-58-5

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General Information

  • CAS No. 481075-58-5
  • Cat. No. CS-0094801
  • Purity ≥97%
  • MDL No. MFCD08543938
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrF₃I
  • Molecular Weight 350.90
  • Synonym(s) 2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE
  • SMILES FC(C1=CC=C(I)C(Br)=C1)(F)F

Application

2-Bromo-1-iodo-4-(trifluoromethyl)benzene serves as a versatile diaryl building block for palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl scaffolds. The orthogonal reactivity of bromo and iodo substituents allows sequential functionalization, while the trifluoromethyl group imparts enhanced metabolic stability and lipophilicity—key attributes in medicinal chemistry. Its bench-stable crystalline form facilitates handling and purification in multi-step syntheses.

Synthesis

  • Route1

    References

    • Marzi, Elena; Spitaleri, Andrea; Mongin, Florence; Schlosser, Manfred European Journal of Organic Chemistry, 2002 , # 15 p. 2508 - 2517
  • Route2

    References

    • Dahl, Troels; Tornoe, Christian W.; Bang-Andersen, Benny; Nielsen, Poul; Jorgensen, Morten Angewandte Chemie - International Edition, 2008 , vol. 47, # 9 p. 1726 - 1728

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   0
  • LogP   4.0725
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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