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CS-W001157 4
Total: USD 88.00

2-Chloro-4-iodoaniline

  • CAS No. 42016-93-3

  • Cat. No. CS-0045016
  • Purity≥98%
  • MDL No.MFCD00025298

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

2-Chloro-4-iodoaniline|CS-0045016

Structure of 42016-93-3

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General Information

  • CAS No. 42016-93-3
  • Cat. No. CS-0045016
  • Purity ≥98%
  • MDL No. MFCD00025298
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅ClIN
  • Molecular Weight 253.47
  • Synonym(s) 2-Chloro-4-iodo-phenylamine
  • SMILES NC1=CC=C(I)C=C1Cl

Description

2-Chloro-4-iodoaniline features a chlorinated and iodinated aromatic ring system, enabling selective cross-coupling reactions in pharmaceutical synthesis. The electron-deficient aryl moiety integrates efficiently into complex molecular architectures under standard conditions, offering high functional group tolerance and reliable reactivity in Pd-catalyzed transformations.

Application

2-Chloro-4-iodoaniline serves as a valuable building block for constructing substituted anilines and heterocyclic scaffolds in medicinal chemistry. Its dual halogen functionality enables sequential cross-coupling reactions, facilitating efficient access to complex molecular architectures. The compound exhibits good bench stability and is compatible with standard palladium-catalyzed transformations, offering reliable reactivity in diverse synthetic workflows.

Synthesis

  • Route1
    • null|null
      95-51-2
    • ~97%
    • In-stock
      2-Chloro-4-iodoaniline|CS-0045016
      42016-93-3

    References

    • Hosseini, Abolfazl; Khalilzadeh, Mohammad A.; Keipour, Hoda; Tajbakhsh, Mahmood Synthetic Communications, 2012 , vol. 42, # 16 p. 2407 - 2414
  • Route2

    References

    • Caldwell; Werner Journal of the Chemical Society, 1907 , vol. 91, p. 247
  • Route3
    • null|null
      116008-49-2
    • ~%
    • In-stock
      2-Chloro-4-iodoaniline|CS-0045016
      42016-93-3

    References

    • Caldwell; Werner Journal of the Chemical Society, 1907 , vol. 91, p. 247

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.5268
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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