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Sigma-Aldrich

Tetrabutylammonium hexafluorophosphate

98%

Synonym(s):

TBAPF6, Tetra-n-butylammonium hexafluorophosphate

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About This Item

Linear Formula:
(CH3CH2CH2CH2)4N(PF6)
CAS Number:
3109-63-5
Molecular Weight:
387.43
Beilstein:
4056584
EC Number:
221-472-6
MDL number:
MFCD00011748
UNSPSC Code:
12352101
PubChem Substance ID:
24856963
NACRES:
NA.22

Quality Level

100

Assay

98%

form

powder

mp

244-246 °C (lit.)

SMILES string

F[P-](F)(F)(F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC

InChI

1S/C16H36N.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3,4,5)6/h5-16H2,1-4H3;/q+1;-1

InChI key

BKBKEFQIOUYLBC-UHFFFAOYSA-N

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Application

Tetrabutylammonium hexafluorophosphate (TBAPF6) can be used:
  • As a catalyst in the synthesis of 3,4-dihydropyrimidin-2(1H)-one and 3,4-dihydropyrimidine-2(1H)-thione derivatives via Biginelli reaction.
  • Along with 1-ethyl-3-methyl imidazolium hexafluorophosphate as a supporting electrolyte in non-aqueous redox flow batteries.
  • As a supporting electrolyte in the electropolymerisation.

Tetrabutylammonium hexafluorophosphate can be used as a supporting electrolyte for the formation of cyclic disulfide moiety of 3,5-diimido-1,2-dithiolane derivatives by S-S coupling of dithioanilides.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319

Hazard Classifications

Acute Tox. 4 Oral - 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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The application of a non-aqueous bis (acetylacetone) ethylenediamine cobalt electrolyte in redox flow battery
Zhang D, et al.
Journal of Power Sources, 217, 199-203 (2012)
Alkylammonium and alkylimidazolium perhaloborates, phosphates, and aluminates as catalysts in the Biginelli reaction
Putilova ES et al.
Russ. J. Org. Chem., 41(4), 512-516 (2005)
Electrochemical Formation of 3, 5-Diimido-1, 2-dithiolanes by Dehydrogenative Coupling
Breising VM, et al.
Organic Letters (2018)
Electrochemical synthesis and properties of copolymers based on N-alkylpyrroles and thiophene
Vautrin M, et al.
Electrochemical Communications, 1(6), 233-237 (1999)
Tetrabutylammonium hexafluorophosphate and 1-ethyl-3-methyl imidazolium hexafluorophosphate ionic liquids as supporting electrolytes for non-aqueous vanadium redox flow batteries
Zhang D, et al.
Journal of Power Sources, 203, 201-205 (2012)
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