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N-Butyl-N-methylpyrrolidinium hexafluorophosphate

  • CAS No. 330671-29-9

  • Cat. No. CS-0152433
  • Molecule weight287.23
  • Purity≥97%
  • MDL No.MFCD08458501

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

N-Butyl-N-methylpyrrolidinium hexafluorophosphate|CS-0152433

Structure of 330671-29-9

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General Information

  • CAS No. 330671-29-9
  • Cat. No. CS-0152433
  • Purity ≥97%
  • MDL No. MFCD08458501
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₂₀F₆NP
  • Molecular Weight 287.23
  • Synonym(s) 1-Butyl-1-methylpyrrolidinium hexafluorophosphate
  • SMILES CCCC[N+]1(C)CCCC1.F[P-](F)(F)(F)(F)F

Description

N-Butyl-N-methylpyrrolidinium hexafluorophosphate is a bench-stable, moisture-tolerant ionic liquid featuring a pyrrolidinium cation with orthogonal alkyl substituents. This structure delivers enhanced solubility for polar and nonpolar species while maintaining high conductivity in electrochemical applications.

Application

N-Butyl-N-methylpyrrolidinium hexafluorophosphate serves as a stable, bench-friendly ionic liquid salt widely used as a non-coordinating anion source in transition metal-catalyzed reactions. Its low nucleophilicity and thermal stability facilitate efficient catalyst turnover in cross-coupling and C–H functionalization processes. The pyrrolidinium cation enhances solubility in polar organic media, enabling straightforward reaction workup and purification. This reagent functions reliably in catalytic systems requiring inert electrolyte support.

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   0
  • LogP   5.4093
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   3

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