Tetraethylammonium hexafluorophosphate - ≥98% , CAS No.429-07-2

CAS: 429-07-2 Cat. No.: T189140 Molecular Weight: 275.22 Beilstein Registry Number: 3748870 EC Number: 207-056-7 PubChem CID: 9885

GRADE & PURITY ≥98%

Synonyms

DTXSID10195552 | EINECS 207-056-7 | NSC 404041 | NSC404041 | NSC-404041 | Et4NPF6 | Ethanaminium,N,N-triethyl-, hexafluorophosphate(1-) | tetraethylazanium;hexafluorophosphate | Ethanaminium, N,N,N-triethyl-, hexafluorophosphate(1-) | FT-0746919 | AI3-169

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Employed extensively in electrolytes for electrochemical synthesis. Recent examples include one-pot electrochemical generation of a porphyrin dimer[1] and reduction of esters in aprotic solvents

Specifications

Synonyms

DTXSID10195552 | EINECS 207-056-7 | NSC 404041 | NSC404041 | NSC-404041 | Et4NPF6 | Ethanaminium, N, N-triethyl-, hexafluorophosphate(1-) | tetraethylazanium;hexafluorophosphate | Ethanaminium, N, N, N-triethyl-, hexafluorophosphate(1-) | FT-0746919 | AI3-169

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751881
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751881
• Canonical Smiles: CC[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F
• IUPAC Name: tetraethylazanium;hexafluorophosphate
• InChIKey: KLKUOIXSIDDDCN-UHFFFAOYSA-N
• INCHI: 1S/C8H20N.F6P/c1-5-9(6-2,7-3)8-4;1-7(2,3,4,5)6/h5-8H2,1-4H3;/q+1;-1
• Isomeric SMILES: CC[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F
• WGK Germany: 3
• RTECS: BS6500000
• PubChem CID: 9885
• Molecular Weight: 275.22
• Beilstein: 3748870

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water, alcohol, and acetonitrile.
• Sensitivity: Moisture & Heat sensitive
• Melt Point(°C): ≥300 °C
• Molecular Weight: 275.220 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 275.124 Da
• Monoisotopic Mass: 275.124 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 110.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Yingliang Yang, Hongshuai Gao, Jiaqi Feng, Shaojuan Zeng, Lei Liu, Licheng Liu, Baozeng Ren, Tao Li, Suojiang Zhang, Xiangping Zhang.  (2020)  Aromatic Ester-Functionalized Ionic Liquid for Highly Efficient CO2 Electrochemical Reduction to Oxalic Acid.  ChemSusChem,  13  (18): (4900-4905).  [PMID:32668086] [10.1002/cssc.202001194]