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Sigma-Aldrich

1-Butyl-3-methylimidazolium hexafluorophosphate

greener alternative

for catalysis, ≥98.5% (T)

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Synonym(s):
BMIMPF6
Empirical Formula (Hill Notation):
C8H15F6N2P
CAS Number:
174501-64-5
Molecular Weight:
284.18
MDL number:
MFCD03093295
UNSPSC Code:
12352100
PubChem Substance ID:
329751629
NACRES:
NA.22

grade

for catalysis

Quality Level

100

Assay

≥98.5% (T)

greener alternative product characteristics

Safer Solvents and Auxiliaries
Catalysis
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sustainability

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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

Aligned,

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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Application

Ionic Liquids for Catalysis

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Temperature and pressure dependence of the viscosity of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate
Harris, Kenneth R., Lawrence A. Woolf, and Mitsuhiro Kanakubo
Journal of Chemical and Engineering Data, 50.5, 1777-1782 (2005)
Low-pressure solubilities and thermodynamics of solvation of eight gases in 1-butyl-3-methylimidazolium hexafluorophosphate
Jacquemin, Johan, et al.
Fluid Phase Equilibria, 240.1, 87-95 (2006)
Molecular Reorientational Dynamics of the Neat Ionic Liquid 1?Butyl?3?methylimidazolium Hexafluorophosphate by Measurement of 13C Nuclear Magnetic Relaxation Data
Antony, Jurgen H., et al.
ChemPhysChem, 4.6, 588-594 (2003)
The Negishi coupling: an update
Aldrichimica Acta, 38(3), 69-69 (2005)
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)
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