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CS-W001157 4
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4-Chloro-3-iodobenzonitrile

  • CAS No. 914106-26-6

  • Cat. No. CS-0041322
  • Purity≥98%
  • MDL No.MFCD09025674

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

4-Chloro-3-iodobenzonitrile|CS-0041322

Structure of 914106-26-6

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General Information

  • CAS No. 914106-26-6
  • Cat. No. CS-0041322
  • Purity ≥98%
  • MDL No. MFCD09025674
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃ClIN
  • Molecular Weight 263.46
  • Synonym(s) 3-Iodo-4-chlorobenzonitrile
  • SMILES N#CC1=CC=C(Cl)C(I)=C1

Description

4-Chloro-3-iodobenzonitrile features a trifunctional aromatic core bearing chlorine, iodine, and nitrile groups in a regioselective arrangement. This configuration enables direct incorporation into cross-coupling reactions, facilitating rapid access to complex heterocycles and functionalized biaryls under standard catalytic conditions.

Application

4-Chloro-3-iodobenzonitrile serves as a versatile building block in cross-coupling chemistry, enabling efficient access to biaryl and heteroaryl scaffolds. The ortho-halogenated structure facilitates palladium-catalyzed coupling reactions with broad functional group tolerance. The nitrile group provides additional handles for downstream transformations, while the molecule exhibits excellent bench stability and ease of purification—ideal for iterative synthetic sequences in medicinal chemistry and process development.

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-H319
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   23.79
  • LogP   2.81628
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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