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CS-W001157 4
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4-Iodobenzene-1,2-diamine

  • CAS No. 21304-38-1

  • Cat. No. CS-W005472
  • Purity≥97%
  • MDL No.None

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

4-Iodobenzene-1,2-diamine|CS-W005472

Structure of 21304-38-1

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General Information

  • CAS No. 21304-38-1
  • Cat. No. CS-W005472
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇IN₂
  • Molecular Weight 234.04
  • Synonym(s) 4-Iodo-o-Phenylenediamine
  • SMILES NC1=CC=C(I)C=C1N

Description

4-Iodobenzene-1,2-diamine features a para-iodinated benzene core bearing two adjacent amino groups, enabling efficient coupling in palladium-catalyzed transformations. The electron-rich diamine moiety facilitates coordination to transition metals, while the iodide serves as a reactive handle for cross-coupling. This compound offers high stability under standard conditions and is well-suited for constructing complex heterocyclic architectures in medicinal chemistry and materials science.

Application

4-Iodobenzene-1,2-diamine serves as a versatile building block for palladium-catalyzed cross-coupling reactions and the synthesis of functionalized heterocycles. Its dual amine functionalities enable efficient coordination in catalytic systems, while the iodide group provides a reliable handle for Suzuki, Stille, or Negishi coupling transformations. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic sequences in medicinal chemistry and materials science applications.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   52.04
  • LogP   1.4556
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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