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CS-W001157 4
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1-Chloro-3-iodo-2-methoxybenzene

  • CAS No. 860585-01-9

  • Cat. No. CS-0202281
  • Purity≥97%
  • MDL No.None

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

1-Chloro-3-iodo-2-methoxybenzene|CS-0202281

Structure of 860585-01-9

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General Information

  • CAS No. 860585-01-9
  • Cat. No. CS-0202281
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClIO
  • Molecular Weight 268.48
  • Synonym(s) 2-chloro-6-iodoanisole
  • SMILES COC1=C(I)C=CC=C1Cl

Description

1-Chloro-3-iodo-2-methoxybenzene features a strategically positioned methoxy group that enhances solubility and modulates electronic properties. The ortho-methoxy substituent stabilizes the aromatic ring, while the flanking chloro and iodo groups enable selective cross-coupling reactions under mild conditions. This compound serves as a key intermediate in the synthesis of functionalized biaryls and pharmaceutical scaffolds.

Application

1-Chloro-3-iodo-2-methoxybenzene serves as a versatile ortho-disubstituted aryl building block for palladium-catalyzed cross-coupling reactions. The chlorine and iodine functionalities enable sequential or selective transformations, while the methoxy group provides electronic modulation and enhanced solubility. Its bench-stable nature and compatibility with standard coupling protocols facilitate efficient construction of complex biaryl architectures in medicinal chemistry and materials synthesis.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   2.9532
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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