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CS-W001157 4
Total: USD 88.00

1,3-Diisopropyl-1H-imidazol-3-ium iodide

  • CAS No. 398460-83-8

  • Cat. No. CS-0527343
  • Purity≥98%
  • MDL No.None

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

1,3-Diisopropyl-1H-imidazol-3-ium iodide|CS-0527343

Structure of 398460-83-8

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General Information

  • CAS No. 398460-83-8
  • Cat. No. CS-0527343
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₇IN₂
  • Molecular Weight 280.15
  • Synonym(s) None
  • SMILES CC([N+]1=CN(C(C)C)C=C1)C.[I-]

Description

1,3-Diisopropyl-1H-imidazol-3-ium iodide is a bench-stable, moisture-tolerant imidazolium salt featuring two bulky isopropyl groups that enhance solubility in organic media. This structure delivers high ionic conductivity and stability under standard reaction conditions, making it well-suited for use as a catalyst support or electrolyte component in electrochemical systems.

Application

1,3-Diisopropyl-1H-imidazol-3-ium iodide serves as a stable, bench-friendly N-heterocyclic carbene precursor with excellent functional group tolerance. It facilitates C–C and C–heteroatom bond formations in palladium-catalyzed cross-coupling reactions and acts as a versatile building block for imidazolium-based ionic liquids and catalysts. The diisopropyl substitution enhances solubility and reduces hygroscopicity, enabling straightforward handling and purification.

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-P405-P501

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Computational Chemistry Data

  • TPSA   8.81
  • LogP   -1.0586
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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