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1-Butyl-3-(2-pyridinylmethyl)-1H-imidazolium hexafluorophosphate

Catalog Number
ACM873788091-1
Product Name
1-Butyl-3-(2-pyridinylmethyl)-1H-imidazolium hexafluorophosphate
Structure
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CAS
873788-09-1
  • Product Overview
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Synonyms
2-[(3-Butylimidazol-1-ium-1-yl)methyl]pyridine;hexafluorophosphate
IUPAC Name
2-[(3-butylimidazol-1-ium-1-yl)methyl]pyridine;hexafluorophosphate
Molecular Weight
361.27
Molecular Formula
C13H18F6N3P
Canonical SMILES
CCCC[NH+]1CN(C=C1)CC2=CC=CC=N2.F[P-](F)(F)(F)(F)F;
InChI
LYRTZSJBJXWSOP-UHFFFAOYSA-N
InChI Key
InChI=1S/C13H18N3.F6P/c1-2-3-8-15-9-10-16(12-15)11-13-6-4-5-7-14-13;1-7(2,3,4,5)6/h4-7,9-10,12H,2-3,8,11H2,1H3;/q+1;-1
Purity
98%
Appearance
Liquid
Storage
2-8°C
Complexity
290
Covalently-Bonded Unit Count
2
Exact Mass
363.13g/mol
H-Bond Acceptor
9
H-Bond Donor
1
Heavy Atom Count
23
Isomeric SMILES
CCCCN1C=C[N+](=C1)CC2=CC=CC=N2.F[P-](F)(F)(F)(F)F
Monoisotopic Mass
363.13g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
20.6A^2
Application
1-Butyl-3-(2-pyridinylmethyl)-1H-imidazolium hexafluorophosphate is primarily used as a reactant in the synthesis of catalysts involving rhodium and iridium. These catalysts are pivotal in various chemical reactions and processes, enhancing the efficiency and effectiveness of the catalytic activity in fields such as organic synthesis and industrial chemistry.
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