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CS-W001157 4
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4-Bromo-2-iodobenzonitrile

  • CAS No. 944276-67-9

  • Cat. No. CS-0089796
  • Purity≥97%
  • MDL No.MFCD09907887

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

4-Bromo-2-iodobenzonitrile|CS-0089796

Structure of 944276-67-9

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General Information

  • CAS No. 944276-67-9
  • Cat. No. CS-0089796
  • Purity ≥97%
  • MDL No. MFCD09907887
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrIN
  • Molecular Weight 307.91
  • Synonym(s) 2-Iodo-4-bromobenzonitrile
  • SMILES N#CC1=CC=C(Br)C=C1I

Description

4-Bromo-2-iodobenzonitrile features a dual halogenated aromatic core with complementary reactivity for cross-coupling processes. The para-bromo and ortho-iodo substituents enable sequential functionalization, while the nitrile group provides a polar handle for downstream derivatization. This compound serves as a key intermediate in the synthesis of complex pharmaceuticals and functional materials.

Application

4-Bromo-2-iodobenzonitrile serves as a versatile diaryl building block for palladium-catalyzed cross-coupling reactions, enabling efficient access to biaryl scaffolds in medicinal chemistry and materials science. The ortho-bromine and meta-iodine substituents offer complementary reactivity profiles, allowing sequential functionalization with high chemoselectivity. Bench-stable and compatible with standard reaction conditions, it facilitates the synthesis of complex heterocycles and multi-substituted aromatic systems with predictable regiocontrol.

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   23.79
  • LogP   2.92538
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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