3-Butyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1H-imidazol-3-ium hexafluorophosphate

Base Information

• Chemical Name: 3-Butyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1H-imidazol-3-ium hexafluorophosphate
• CAS No.: 313475-52-4
• Molecular Formula: C15H16F13N2.F6P
• Molecular Weight: 616.241
• European Community (EC) Number: 622-808-8
• DSSTox Substance ID: DTXSID00585029
• Mol file: 313475-52-4.mol

Synonyms:313475-52-4;1-Butyl-3-(1H,1H,2H,2H-perfluorooctyl)imidazolium hexafluorophosphate;3-Butyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1H-imidazol-3-ium hexafluorophosphate;1-Butyl-1-(3 3 ....-tridecafluorooctyl)-;1-Butyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazolium hexafluorophosphate;1-butyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazol-1-ium;hexafluorophosphate;3-Butyl-1-((perfluorohexyl)eth-2-yl)-1H-imidazol-3-ium hexafluorophosphate;SCHEMBL19475616;SCHEMBL21837196;DTXSID00585029;XPWVKMRONQMDKR-UHFFFAOYSA-N;NS00018933

Chemical Property of 3-Butyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1H-imidazol-3-ium hexafluorophosphate

Chemical Property:

• Melting Point: 120-122 °C
• PSA: 22.40000
• LogP: 9.08700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 10
• Exact Mass: 616.0747706
• Heavy Atom Count: 37
• Complexity: 636

Purity/Quality:

99% ^*data from raw suppliers

1-BUTYL-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL)IMIDAZOLIUM HEXAFLUOROPHOSPHATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+]1=CN(C=C1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.F[P-](F)(F)(F)(F)F