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Sigma-Aldrich

1-Butyl-3-methylimidazolium hexafluorophosphate

greener alternative

for catalysis, ≥98.5% (T)

Synonym(s):

BMIMPF6

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About This Item

Empirical Formula (Hill Notation):
C8H15F6N2P
CAS Number:
Molecular Weight:
284.18
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

grade

for catalysis

Quality Level

Assay

≥98.5% (T)

greener alternative product characteristics

Safer Solvents and Auxiliaries
Catalysis
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impurities

≤0.03% water

refractive index

n20/D 1.41

density

1.38 g/mL at 20 °C (lit.)

anion traces

bromide (Br-): ≤10 mg/kg
chloride (Cl-): ≤10 mg/kg
nitrate (NO3-): ≤10 mg/kg
phosphate (PO43-): ≤10 mg/kg
sulfate (SO42-): ≤10 mg/kg

greener alternative category

SMILES string

F[P-](F)(F)(F)(F)F.CCCCn1cc[n+](C)c1

InChI

1S/C8H15N2.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-7(2,3,4,5)6/h6-8H,3-5H2,1-2H3;/q+1;-1

InChI key

IXQYBUDWDLYNMA-UHFFFAOYSA-N

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General description

1-Butyl-3-methylimidazolium hexafluorophosphate is a high-purity ionic liquid (HPIL) with low water and halogen content, which makes it an effective solvent for transition-metal-catalyzed reactions. Some of its other advantageous properties include hydrophobicity and lack of vapor pressure.
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Pictograms

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Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Solvent properties of the 1-butyl-3-methylimidazolium hexafluorophosphate ionic liquid
Carda?Broch, S., A. Berthod, and D. W. Armstrong
Analytical and Bioanalytical Chemistry, 375.2, 191-199 (2003)
Thermodynamic properties of 1-butyl-3-methylimidazolium hexafluorophosphate in the ideal gas state
Paulechka, Yauheni U., et al.
Journal of Chemical and Engineering Data, 48.3, 457-462 (2003)
Temperature-dependent microscopic solvent properties of `dry?and `wet?1-butyl-3-methylimidazolium hexafluorophosphate: correlation with ET (30) and Kamlet?Taft polarity scales
Baker, Sheila N., Gary A. Baker, and Frank V. Bright
Green Chemistry, 4.2, 165-169 (2002)
Olefin Metathesis in the Ionic Liquid 1?Butyl?3?methylimidazolium Hexafluorophosphate Using a Recyclable Ru Catalyst: Remarkable Effect of a Designer Ionic Tag
Yao, Qingwei, and Yiliang Zhang
Angewandte Chemie (International Edition in English), 42.29, 3395-3398 (2003)
The Negishi coupling: an update
Aldrichimica Acta, 38(3), 69-69 (2005)

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