tetraethylazanium; tetrafluoroboranuide

• ChemBase ID: 99173
• Molecular Formular: C8H20BF4N
• Molecular Mass: 217.0557128
• Monoisotopic Mass: 217.16249293
• SMILES: [N+](CC)(CC)(CC)CC.[B-](F)(F)(F)F
• Canonical SMILES: F[B-](F)(F)F.CC[N+](CC)(CC)CC
• InChI: InChI=1S/C8H20N.BF4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;/q+1;-1
• InChIKey: XJRAKUDXACGCHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraethylazanium; tetrafluoroboranuide
• IUPAC Traditional name: tetraethylammonium tetrafluoroborate
• Synonyms: Tetraethylammonium tetrafluoroborate 99%; Tetraethylammonium tetrafluoroborate; Tetraethylammonium tetrafluoroborate; 四氟硼酸四乙胺; 四乙基四氟硼酸铵

Database IDs

• CAS Number: 429-06-1
• EC Number: 207-055-1
• MDL Number: MFCD00011827
• Beilstein Number: 3917638
• PubChem SID: 24854534; 162085464; 24888709
• PubChem CID: 2724277

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.5449352
• LogD (pH = 7.4): -2.5449352
• Log P: -2.5449352
• Molar Refractivity: 54.8961 cm^3
• Polarizability: 16.958946 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: acetonitrile: slightly soluble; acetonitrile: soluble0.1 g/mL, clear, colorless
• Apperance: solid
• Melting Point: >300°C; ≥300 °C(lit.); 370-380°C dec.

Safety Information

• Storage Warning: Harmful/Irritant/Hygroscopic/Store under Argon; Hygroscopic
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36; 9-26-36/37-60
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335; H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (T); ≥99.0%; ≥99.0% (T); 95+%; 99%
• Grade: for electrochemical analysis; purum
• Linear Formula: (C2H5)4N(BF4)

DETAILS

Apollo Scientific Ltd - PC6667

Useful electrolyte for electro-organic synthesis, e.g. thehydroxylation by anodic oxidation of aromatic ketones, acids and esters in trifluoroacetic acid.

Sigma Aldrich - 242144

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 86618

General description
Visit our Sensor Applications portal to learn more.
Other Notes
Supporting electrolyte1,2

REFERENCES

• Electrolyte for electro-organic synthesis, e.g. in the o- and p- hydroxylation of simple aromatic ketones, acids and esters by anodic oxidation in TFA: J. Chem. Soc., Chem. Commun., 262 (1975). In CH₃CN, the products are the corresponding o- and p-acetamido compounds (cf Ritter reaction).
• Use as a supporting electrolyte and F^- source for electrochemical fluorination has also been reported: J. Electroanal. Chem., 43, 318 (1973).