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CS-W001157 4
Total: USD 88.00

1-Chloro-3-fluoro-2-iodobenzene

  • CAS No. 127654-70-0

  • Cat. No. CS-0093540
  • Purity≥98%
  • MDL No.MFCD08458092

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

1-Chloro-3-fluoro-2-iodobenzene|CS-0093540

Structure of 127654-70-0

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General Information

  • CAS No. 127654-70-0
  • Cat. No. CS-0093540
  • Purity ≥98%
  • MDL No. MFCD08458092
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃ClFI
  • Molecular Weight 256.44
  • Synonym(s) 2-chloro-6-fluoro-iodbenzene
  • SMILES IC1=C(F)C=CC=C1Cl

Description

1-Chloro-3-fluoro-2-iodobenzene features a trifluorinated aromatic core with complementary halogen handles enabling seamless cross-coupling transformations. This ortho-iodo-substituted scaffold facilitates efficient Pd-catalyzed reactions, offering high functional group tolerance and stability under standard conditions.

Application

1-Chloro-3-fluoro-2-iodobenzene serves as a versatile trifunctional aromatic building block for palladium-catalyzed cross-coupling reactions. The ortho-iodo group enables efficient C–C bond formation via Suzuki, Stille, or Negishi coupling, while the flanking chloro and fluoro substituents offer orthogonal reactivity for sequential functionalization. Its bench-stable nature and compatibility with standard reaction conditions facilitate reliable use in complex molecule synthesis.

Synthesis

  • Route1
    • null|null
      625-98-9
    • ~78%
    • In-stock
      1-Chloro-3-fluoro-2-iodobenzene|CS-0093540
      127654-70-0

    References

    • Coe, Jotham W.; Wirtz, Michael C.; Bashore, Crystal G.; Candler, John Organic Letters, 2004 , vol. 6, # 10 p. 1589 - 1592
  • Route2
    • Benzene, 1-chloro-3-fluoro-2-(trimethylsilyl)-|CS-0723261
      133117-45-0
    • ~67%
    • In-stock
      1-Chloro-3-fluoro-2-iodobenzene|CS-0093540
      127654-70-0

    References

    • Bennetau, Bernard; Rajarison, Florent; Dunogues, Jacques; Babin, Pierre Tetrahedron, 1993 , vol. 49, # 47 p. 10843 - 10854

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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