Tetrabutylammonium Tetrafluoroborate

• CAS: 429-42-5
• Catalog Number: ACM429425-4
• Category: Ammonium Ionic Liquids
• Molecular Weight: 329.27 g/mol
• Molecular Formula: C16H36NBF4
• Description: Tetrabutylammonium tetrafluoroborate (TBATFB) is a phase transfer catalyst. It can be synthesized by the reaction between 30% aqueous solution of tetrafluoroboric acid and 40% aqueous solution of tetrabutylamonium hydroxide. Tetrabutylammonium tetrafluoroborate acts as an electrolyte and inhibits the self-assembly of alkylthiosulfate on gold
• Synonyms: N,N,N-tributyl-1-butanaminiu tetrafluoroborate
• IUPAC Name: tetrabutylazanium;tetrafluoroborate
• Canonical SMILES: [B-](F)(F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36N.BF4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;/q+1;-1
• InChI Key: NNZZSJSQYOFZAM-UHFFFAOYSA-N
• Melting Point: 161 °C
• Appearance: White to Almost white powder to crystal
• Storage: Store under inert gas
• Color: White to Almost White Powder to crystal
• Complexity: 135
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• EC Number: 207-058-8
• Exact Mass: 329.288g/mol
• Form: Solid
• Hazard Statements: H302 : Harmful if swallowed.H314 : Causes severe skin burns and eye damage.
• H-Bond Acceptor: 5
• Heavy Atom Count: 22
• MDL Number: MFCD00011634
• Monoisotopic Mass: 329.288g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe dusts or mists.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.P363 : Wash contaminated clothing before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.P405 : Store locked up.
• Refractive Index: 1.41
• Rotatable Bond Count: 12
• Signal Word: Danger
• Specific Gravity: 1.40
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of Tetrabutylammonium Tetrafluoroborate?

The molecular formula of Tetrabutylammonium Tetrafluoroborate is C16H36BF4N.

What is the molecular weight of Tetrabutylammonium Tetrafluoroborate?

The molecular weight of Tetrabutylammonium Tetrafluoroborate is 329.3 g/mol.

What is the IUPAC name of Tetrabutylammonium Tetrafluoroborate?

The IUPAC name of Tetrabutylammonium Tetrafluoroborate is tetrabutylazanium;tetrafluoroborate.

What is the InChI of Tetrabutylammonium Tetrafluoroborate?

The InChI of Tetrabutylammonium Tetrafluoroborate is InChI=1S/C16H36N.BF4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;/q+1;-1.

What is the InChIKey of Tetrabutylammonium Tetrafluoroborate?

The InChIKey of Tetrabutylammonium Tetrafluoroborate is NNZZSJSQYOFZAM-UHFFFAOYSA-N.

What is the canonical SMILES of Tetrabutylammonium Tetrafluoroborate?

The canonical SMILES of Tetrabutylammonium Tetrafluoroborate is [B-](F)(F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC.

What is the CAS number of Tetrabutylammonium Tetrafluoroborate?

The CAS number of Tetrabutylammonium Tetrafluoroborate is 429-42-5.

What is the European Community (EC) number of Tetrabutylammonium Tetrafluoroborate?

The European Community (EC) number of Tetrabutylammonium Tetrafluoroborate is 207-058-8.

What is the ChEMBL ID of Tetrabutylammonium Tetrafluoroborate?

The ChEMBL ID of Tetrabutylammonium Tetrafluoroborate is CHEMBL1078071.

Is Tetrabutylammonium Tetrafluoroborate a canonicalized compound?

Yes, Tetrabutylammonium Tetrafluoroborate is a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 429-42-5

• 1619-62-1

Reference: [1] Bulletin of the Chemical Society of Japan, 1989, vol. 62, # 7, p. 2219 - 2228

Downstream Synthesis Route 2

• 429-42-5

• 429-41-4

Reference: [1] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1990, vol. 45, # 4, p. 469 - 475

Downstream Synthesis Route 3

• 429-42-5

• 311-89-7

Reference: [1]Dimitrov. A.; Radeck, W.; Ruediger, St.; Bechstein, O.
[Journal of Fluorine Chemistry, 1993, vol. 60, # 1, p. 57 - 60]

* For details of the synthesis route, please refer to the original source to ensure accuracy.