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Merck
CN

18122

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:
174501-64-5
Molecular Weight:
284.18
NACRES:
NA.22
PubChem Substance ID:
329751629
UNSPSC Code:
12352100
MDL number:
MFCD03093295

Key Documents

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Product Name

1-Butyl-3-methylimidazolium hexafluorophosphate, for catalysis, ≥98.5% (T)

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

SMILES string

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

InChI key

IXQYBUDWDLYNMA-UHFFFAOYSA-N

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

Aligned,

Quality Level

100

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Related Categories

Application

Ionic Liquids for Catalysis

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
GHS07

signalword

Warning

hcodes

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCCK9799
BCCF2119
BCCF2121
BCCF2120
BCCD8513

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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)
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)
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)
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)
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)
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