CAS 3109-63-5 Tetrabutylammonium Hexafluorophosphate

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Tetrabutylammonium Hexafluorophosphate

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Catalog Number

ACM3109635-2

CAS Number

3109-63-5

Product Name

Tetrabutylammonium Hexafluorophosphate

Structure

Category

Battery Materials; Molecular Conductors

Synonyms

Tetra-N-Butylammonium hexafluorophosphate

Description

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

IUPAC Name

tetrabutylazanium;hexafluorophosphate

Molecular Weight

387.43

Molecular Formula

C16H36F6NP

Canonical SMILES

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

InChI

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

Boiling Point

242-246 °C

Melting Point

242-248 °C

Purity

≥98%

Solubility

soluble in Methanol

Appearance

Powder

Application

Tetrabutylammonium hexafluorophosphate serves a vital role as a highly soluble white powder in polar organic solvents like acetone and acetonitrile. Its primary purposes include being an essential supporting electrolyte in cyclic voltammetric studies, which helps in analyzing the electrochemical properties of various substances. Additionally, it is utilized as a reactant in the synthesis of fluorescent nanofibrous sensing films, which are crucial for the detection of nitro-explosive vapors, showcasing its significance in both scientific research and practical applications in safety and security.

Storage

Store under inert gas

Chemical Formula

N4,4,4,4PF6

Complexity

179

Covalently-Bonded Unit Count

EC Number

221-472-6

Exact Mass

387.24895612

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isomeric SMILES

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

MDL Number

MFCD00011748

Monoisotopic Mass

387.24895612

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Refractive Index

1.42

Rotatable Bond Count

Signal Word

Warning

Specific Gravity

1.41

Storage Conditions

Room temperature

Topological Polar Surface Area

0 Å²

WGK Germany