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CS-W001157 4
Total: USD 88.00

1-Ethyl-3-iodobenzene

  • CAS No. 19164-77-3

  • Cat. No. CS-0358163
  • Molecule weight232.06
  • Purity≥97%
  • MDL No.None

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

1-Ethyl-3-iodobenzene|CS-0358163

Structure of 19164-77-3

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General Information

  • CAS No. 19164-77-3
  • Cat. No. CS-0358163
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉I
  • Molecular Weight 232.06
  • Synonym(s) m-iodoethylbenzene
  • SMILES CCC1=CC(=CC=C1)I

Description

1-Ethyl-3-iodobenzene is a bench-stable, moisture-tolerant aryl iodide featuring an ethyl group at the ortho position relative to iodine. This substitution pattern enhances reactivity in palladium-catalyzed cross-coupling reactions while maintaining ease of handling under standard conditions.

Application

1-Ethyl-3-iodobenzene serves as a versatile aryl halide building block in palladium-catalyzed cross-coupling reactions, enabling efficient C–C bond formation under standard Suzuki, Stille, and Negishi conditions. The ethyl substituent provides moderate electron-donating character and enhances solubility without compromising reactivity. Bench-stable and readily purified by distillation or flash chromatography, it facilitates the synthesis of substituted biaryls and functionalized heterocycles relevant to medicinal chemistry and materials science.

Synthesis

  • Route1
    • null|null
      17988-51-1
    • ~94%
    • In-stock
      1-Ethyl-3-iodobenzene|CS-0358163
      19164-77-3

    References

    • Bennetau, Bernhard; Krempp, Michele; Dunogues, Jacques; Ratton, Serge Tetrahedron, 1990 , vol. 46, # 24 p. 8131 - 8142
  • Route2
    • null|null
      128254-32-0
    • ~%
    • In-stock
      1-Ethyl-3-iodobenzene|CS-0358163
      19164-77-3

    References

    • Bennetau, Bernhard; Krempp, Michele; Dunogues, Jacques; Ratton, Serge Tetrahedron, 1990 , vol. 46, # 24 p. 8131 - 8142
  • Route3

    References

    • True, Nancy S.; Farag, Maya, S.; Bohn, Robert K.; MacGregor, Malcolm A.; Radhakrishnan, J. Journal of Physical Chemistry, 1983 , vol. 87, # 23 p. 4622 - 4627

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-P330-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.8536
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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