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CS-W001157 4
Total: USD 88.00

5-Iodobenzofuran

  • CAS No. 60770-67-4

  • Cat. No. CS-0187820
  • Molecule weight244.03
  • Purity≥97%
  • MDL No.None

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

5-Iodobenzofuran|CS-0187820

Structure of 60770-67-4

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General Information

  • CAS No. 60770-67-4
  • Cat. No. CS-0187820
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅IO
  • Molecular Weight 244.03
  • Synonym(s) InChI=1/C11H9IO/c12-9-3-1-2-7-8-4-6(11(7)9)5-10(8)13/h1-3,6,8H,4-5H2
  • SMILES C1=C(C=C2C=COC2=C1)I

Description

5-Iodobenzofuran serves as a pivotal building block in synthetic organic chemistry, featuring a iodinated heterocyclic core that enables efficient cross-coupling reactions. The electron-deficient aryl iodide integrates readily into complex molecular architectures under standard palladium-catalyzed conditions, offering high functional group tolerance and predictable reactivity. This bench-stable compound facilitates streamlined access to bioactive scaffolds and advanced materials.

Application

5-Iodobenzofuran serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to biaryl and heteroaryl architectures. Its iodine substituent facilitates reliable Suzuki, Stille, and Negishi couplings under standard conditions, while the benzofuran core provides structural rigidity and favorable electronic properties for downstream applications in medicinal chemistry and materials science. The compound exhibits excellent bench stability and is readily purified by flash chromatography.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   13.14
  • LogP   3.0374
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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