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CS-W001157 4
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2-Iodobenzene-1,3-diol

  • CAS No. 41046-67-7

  • Cat. No. CS-0167941
  • Purity≥95%
  • MDL No.MFCD09701440

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

2-Iodobenzene-1,3-diol|CS-0167941

Structure of 41046-67-7

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General Information

  • CAS No. 41046-67-7
  • Cat. No. CS-0167941
  • Purity ≥95%
  • MDL No. MFCD09701440
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅IO₂
  • Molecular Weight 236.01
  • Synonym(s) 1,3-Dihydroxy-2-iodobenzene
  • SMILES OC1=CC=CC(O)=C1I

Description

2-Iodobenzene-1,3-diol delivers a reactive iodinated diol scaffold for cross-coupling and functionalization workflows. The ortho-iodo group enables efficient Pd-catalyzed transformations, while the adjacent hydroxyls provide polarity and coordination sites. This bench-stable compound facilitates streamlined synthesis of complex phenolic architectures under standard conditions.

Application

2-Iodobenzene-1,3-diol serves as a versatile building block in transition-metal-catalyzed couplings, enabling efficient access to substituted biaryls and functionalized heterocycles. Its ortho-diolic structure provides enhanced stability and facilitates selective transformations under mild conditions. The iodine handle offers high reactivity in Suzuki, Stille, and Negishi cross-coupling reactions, while the phenolic groups support orthogonal derivatization and metal complexation. This compound functions reliably in multi-step syntheses requiring bench-stable, regioselective intermediates.

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   40.46
  • LogP   1.7024
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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