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3-butyl-1-vinyl-1H-imidazol-3-ium hexafluorophosphate(V)

  • CAS No. 915358-85-9

  • Cat. No. CS-0461580
  • Molecule weight296.19
  • Purity≥98%
  • MDL No.None

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

3-butyl-1-vinyl-1H-imidazol-3-ium hexafluorophosphate(V)|CS-0461580

Structure of 915358-85-9

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General Information

  • CAS No. 915358-85-9
  • Cat. No. CS-0461580
  • Purity ≥98%
  • MDL No. None
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₅F₆N₂P
  • Molecular Weight 296.19
  • Synonym(s) JACS-915358-85-9
  • SMILES [F-][P+5]([F-])([F-])([F-])([F-])[F-].C=CN1C=C[N+](=C1)CCCC

Description

This imidazolium salt features a vinyl group at the 1-position and a butyl substituent at the 3-position, creating a polar, charge-stabilized cation paired with hexafluorophosphate. The conjugated vinyl moiety enables efficient incorporation into polymer networks or crosslinking systems, while the bulky alkyl chain enhances solubility in organic media. This combination delivers robust reactivity under mild conditions without requiring stringent anhydrous handling.

Application

3-Butyl-1-vinyl-1H-imidazol-3-ium hexafluorophosphate(V) serves as a versatile ionic liquid precursor and catalytic platform in transition metal-catalyzed coupling reactions. The vinyl-substituted imidazolium moiety enables efficient Heck-type cyclizations and cross-coupling transformations, while the hexafluorophosphate counterion enhances solubility and stability under reaction conditions. Its bench-stable nature and functional group tolerance facilitate straightforward purification and integration into scalable synthetic workflows.

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+P364-P405-P501

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Computational Chemistry Data

  • TPSA   N/A
  • LogP   N/A
  • H_Acceptors   N/A
  • H_Donors   N/A
  • Rotatable_Bonds   N/A

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