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CS-W001157 4
Total: USD 88.00

4-Chloro-3-fluoroiodobenzene

  • CAS No. 202982-67-0

  • Cat. No. CS-W004752
  • Purity≥98%
  • MDL No.MFCD00042580

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

4-Chloro-3-fluoroiodobenzene|CS-W004752

Structure of 202982-67-0

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General Information

  • CAS No. 202982-67-0
  • Cat. No. CS-W004752
  • Purity ≥98%
  • MDL No. MFCD00042580
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃ClFI
  • Molecular Weight 256.44
  • Synonym(s) 4-Chloro-3-fluoro-1-iodobenzene
  • SMILES ClC1=C(C=C(C=C1)I)F

Description

4-Chloro-3-fluoroiodobenzene features a trifunctional aryl scaffold with orthogonal reactivity, enabling seamless integration into cross-coupling cascades. The iodine moiety facilitates efficient Pd-catalyzed transformations, while the chloro and fluoro substituents offer complementary handles for sequential functionalization under mild conditions. This compound serves as a strategic intermediate in the synthesis of bioactive heterocycles and advanced pharmaceutical building blocks.

Application

4-Chloro-3-fluoroiodobenzene serves as a versatile building block in transition-metal-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl architectures. Its orthogonal halogen reactivity profile—where iodine undergoes rapid coupling while chlorine remains inert under standard conditions—facilitates sequential functionalization strategies. The molecule exhibits excellent bench stability and is compatible with palladium- and nickel-catalyzed processes, simplifying purification and enhancing reproducibility in medicinal chemistry and materials synthesis workflows.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 93, # 5 p. 1190 - 1198
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 93, # 5 p. 1190 - 1198

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   3.0837
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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