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CS-W001157 4
Total: USD 88.00

1-Fluoro-4-iodo-2-methylbenzene

  • CAS No. 452-68-6

  • Cat. No. CS-W010322
  • Purity≥98%
  • MDL No.MFCD00013710

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

1-Fluoro-4-iodo-2-methylbenzene|CS-W010322

Structure of 452-68-6

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General Information

  • CAS No. 452-68-6
  • Cat. No. CS-W010322
  • Purity ≥98%
  • MDL No. MFCD00013710
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FI
  • Molecular Weight 236.03
  • Synonym(s) 2-Fluoro-5-iodotoluene
  • SMILES CC1=CC(I)=CC=C1F

Description

1-Fluoro-4-iodo-2-methylbenzene features a strategically positioned fluorine and iodine on a methyl-substituted benzene ring, enabling direct functionalization in cross-coupling reactions. The electron-withdrawing fluorine enhances reactivity at the adjacent carbon, while the iodine serves as a high-efficiency coupling handle. This compound exhibits bench-stable handling characteristics and integrates readily into complex molecular architectures under standard conditions.

Application

1-Fluoro-4-iodo-2-methylbenzene serves as a versatile building block in cross-coupling chemistry, enabling efficient Suzuki, Stille, and Negishi reactions due to its orthogonal halogen reactivity. The fluorine substituent enhances metabolic stability and modulates electronic properties, while the iodine group facilitates high-yielding transformations under mild conditions. Bench-stable and readily purified by distillation, it functions effectively in the synthesis of substituted biaryls and functionalized heterocycles relevant to pharmaceutical development.

Synthesis

  • Route1
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      95-52-3
    • ~%
    • In-stock
      1-Fluoro-4-iodo-2-methylbenzene|CS-W010322
      452-68-6

    References

    • Varma; Raman; Nilkantiah Journal of the Indian Chemical Society, 1944 , vol. 21, p. 112,114
  • Route2

    References

    • Varma; Raman; Nilkantiah Journal of the Indian Chemical Society, 1944 , vol. 21, p. 112,114
  • Route3

    References

    • Varma; Raman; Nilkantiah Journal of the Indian Chemical Society, 1944 , vol. 21, p. 112,114

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   2.73872
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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