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CS-W001157 4
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3-Iodo-4-methoxybenzonitrile

  • CAS No. 82504-06-1

  • Cat. No. CS-0117058
  • Purity≥98%
  • MDL No.None

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

3-Iodo-4-methoxybenzonitrile|CS-0117058

Structure of 82504-06-1

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General Information

  • CAS No. 82504-06-1
  • Cat. No. CS-0117058
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆INO
  • Molecular Weight 259.04
  • Synonym(s) 4-Cyano-2-iodoanisole, 3-Iodo-p-anisonitrile
  • SMILES N#CC1=CC=C(OC)C(I)=C1

Description

3-Iodo-4-methoxybenzonitrile features a brominated aromatic core with complementary electron-donating methoxy and electron-withdrawing nitrile groups, enabling efficient cross-coupling transformations. The iodide moiety facilitates palladium-catalyzed reactions under standard conditions, while the methoxy group enhances solubility and stability in organic media. This compound serves as a key building block for functionalized heterocycles and advanced pharmaceutical intermediates.

Application

3-Iodo-4-methoxybenzonitrile serves as a versatile building block in cross-coupling reactions, enabling efficient access to biaryl scaffolds under standard Pd-catalyzed conditions. The nitrile group provides a handle for downstream functionalization, while the methoxy substituent enhances solubility and modulates electronic properties. Bench-stable and readily purified by crystallization, it functions reliably in medicinal chemistry and process development workflows.

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-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   2.17148
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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