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18122

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

Exclamation mark

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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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)
Solubilities of CO2 in 1-butyl-3-methylimidazolium hexafluorophosphate and 1, 1, 3, 3-tetramethylguanidium lactate at elevated pressures
Zhang, Suojiang, et al.
Journal of Chemical and Engineering Data, 50.5, 1582-1585 (2005)
Thermodynamic properties of 1-butyl-3-methylimidazolium hexafluorophosphate in the condensed state
Kabo, Gennady J., et al.
Journal of Chemical and Engineering Data, 49.3, 453-461 (2004)
Direct extraction of double-stranded DNA into ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate and its quantification
Wang, Jian-Hua, et al.
Analytical Chemistry, 79.2, 620-625 (2007)

Articles

Ionic Liquids have been thoroughly investigated as solvents in most types of catalytic reactions. Their merit lies in the ease with which their physical–chemical properties can be tuned by varying either the anion, the cation, or its substitution pattern.

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