Lithium Tetrafluoroborate

• CAS: 14283-07-9
• Catalog Number: ACM14283079-2
• Category: Main Products
• Molecular Weight: 93.8
• Molecular Formula: LiBF4
• Description: Lithium Tetrafluoroborate is generally immediately available in most volumes.
• Synonyms: Lithium boridefluoride
• IUPAC Name: Lithium;tetrafluoroborate
• SMILES: [Li+].[B-](F)(F)(F)F
• InChI: InChI=1S/BF4.Li/c2-1(3,4)5;/q-1;+1
• InChI Key: UFXJWFBILHTTET-UHFFFAOYSA-N
• Melting Point: 293-300 °C
• Flash Point: 6 °C
• Density: 0.852 g/mL at 25 °C (lit.)
• Solubility: slightly soluble in Ether;soluble in Methanol
• Appearance: White to off-white powder
• Storage: Store below +30 °C
• Complexity: 23
• Condition To Avoid: Hygroscopic
• EC Number: 238-178-9
• Exact Mass: 94.0189212
• Hazard Statements: H302 : Harmful if swallowed.H314 : Causes severe skin burns and eye damage.H360 : May damage fertility or the unborn child.H372 : Causes damage to organs through prolonged or repeated exposure.
• Heavy Atom Count: 6
• MDL Number: MFCD00011087
• Monoisotopic Mass: 94.0189212
• Odor: Odorless
• Packing Group: III
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P202 : Do not handle until all safety precautions have been read and understood.P201 : Obtain special instructions before use.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P308 + P313 : IF exposed or concerned: Get medical advice/ attention.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.
• Safety Description: S25-S36/37/39-S45
• Signal Word: Danger
• Stability: Stable. Incompatible with glass, acids, strong bases. Contact with acids releases toxic gas. Moisture-sensitive.
• Topological Polar Surface Area: 0 Ų
• WGK Germany: 3

Case Study

What Is the Benefit of Lithium Tetrafluoroborate Electrolyte for Lithium-Ion Batteries?

Zuo, Xiaoxi, et al. Journal of The Electrochemical Society,2013, 160(8), A1199.

It was evaluated the effect of lithium tetrafluoroborate (LiBF4) as electrolyte additive on LiNi0.5Co0.2Mn0.3O2/graphite battery cycling at high operating voltages in this article.
Evaluation methods and results
· It is showed that LiBF4 is a good electrolyte additive for the cycling efficiency of LiNi0.5Co0.2Mn0.3O2-based battery at high operating voltage. As the electrolyte was 1.0 wt% LiBF4, cycled cells were much less affected by capacity fading when the voltage was 3.0 V-4.5 V and the discharge capacity retention was greater than before from 29.2% to 90.1% at 100 cycles.
· EIS, XPS, XRD and TEM had probed the reasons of increases in cells' capacity retention. On the basis of the obtained data, it appears that the involvement of LiBF4 in the synthesis of the interface film at the cathode and anode is a key contributing variable to the capacity retention. On the one hand, LiBF4's reductive breakdown at high voltage can remove the passivating layers like Li2CO3 species that build up on the graphite electrode. On the other hand, when combined with LiPF6, LiBF4 is broken down to BF3, which is thought to participate in creating a passivation film on the LiNi0.5Co0.2Mn0.3O2 cathode at high voltage. BF3 and anion will be able to remove LiF from the electrolyte and hence decrease the interfacial impedance and improve the performance of the lithium-ion battery during cycling.

Effects of Lithium Tetrafluoroborate and Lithium Difluoro(oxalate)borate Additives on Battery Life

Liu, Yong, et al. Ionics, 2018, 24, 1617-1628.

Affected were the addition of 1 wt% of two boron-based lithium salt additives - lithium tetrafluoroborate (LiBF4) or lithium difluorooxalateborate (LDFOB) to the electrolyte on the high temperature storage life of lithium-ion batteries (LiNi0.8Co0.15Al0.05O2/graphite full battery).
The anode solid electrolyte interphase (SEI) keeps Li+ and e- from being lost in the negative electrode and is one of the most important factors influencing the life of storage.The retention capacity of the basic electrolyte, 1 wt% LiBF electrolyte, and 1 wt% LDFOB electrolyte at 55 °C in the fully charged condition was 75%, 18, and 80 per cent respectively after 150 days of storage. Battery storage time at 55 °C is 90, 30 and 150 days respectively.
Mechanism of the influence of additives
· LiBF4 additive system: The SEI formed in 1 wt% LiBF4 electrolyte was about 100 nm, resulting from the LiF crystal produced by the addition of LiBF4. But the thick SEI was a loose layer and could not prevent the decomposition of electrolyte on anode during storage aging.
· LDFOB additive system: The SEI formed in 1 wt% LDFOB electrolyte was about 20 nm, resulting from the involvement of lithium oxalate in SEI formation. The compact SEI was more effective in preventing the Li+ and e- loss in anode and the decomposition of the electrolyte solvent than the SEI formed in base electrolyte, resulting in a longer storage life.

Application of Lithium Tetrafluoroborate as a Precursor in Synthesizing Novel Lithium Battery Electrolyte Salts

Xue, Zhao-Ming, et al. Journal of Power Sources 196 (2011): 8710-8713

This study explored the role of lithium tetrafluoroborate (LiBF₄) as a key precursor in synthesizing a new unsymmetrical lithium salt, lithium difluoro(1,2-benzene-diolato(2-)-o,o')borate (LDFBDB), for lithium-ion battery electrolytes. LiBF₄ was reacted with o-dihydroxybenzene in dimethyl carbonate (DMC) solvent, with silicon tetrachloride (SiCl₄) as a reaction aid, to produce LDFBDB via a one-step synthesis. The thermal stability, solubility, ionic conductivity, and electrochemical stability of the synthesized LDFBDB were systematically studied and compared with its derivatives (lithium difluoro(3-fluoro-1,2-benzene-diolato(2-)-o,o')borate (FLDFBDB), lithium [3-fluoro-1,2-benzenediolato(2-)-o,o' oxalato]borate (FLBDOB), and lithium bis(oxalate)borate (LBOB)). Thermogravimetric analysis (TGA) showed that LDFBDB started to decompose at 170°C in nitrogen, lower than the thermal stability of LBOB (302°C), FLBDOB (262°C), and FLDFBDB (185°C). LDFBDB exhibited good solubility in common organic solvents, with a solubility of 0.518 mol dm⁻³ in propylene carbonate (PC) at 25°C, the highest among the four salts. Conductivity measurements revealed that 0.10 mol dm⁻³ LDFBDB solutions in different mixed solvents showed varying ionic conductivities, with the PC + dimethyl ether (DME) system achieving 2.167 mS cm⁻¹ at 25°C. Cyclic voltammetry tests indicated that LDFBDB in PC was electrochemically stable up to 3.7 V versus Li⁺/Li, which is slightly lower than the stability of the other three derivatives. These studies demonstrate that LiBF₄ is an effective precursor for synthesizing novel chelate-type lithium borate salts, and the resulting LDFBDB exhibits favorable solubility and ionic conductivity, making it a potential alternative electrolyte salt for low-voltage lithium-ion batteries. The synthesis and performance evaluation of LDFBDB using LiBF₄ as a precursor were conducted through controlled experiments. In an argon-filled glove box, 0.02 mol LiBF₄, 0.02 mol o-dihydroxybenzene, and 20 mL DMC were mixed in a flask, followed by drop-wise addition of SiCl₄ at room temperature with stirring. The reaction was continued for 8 hours after gas evolution ceased, then refluxed at 50°C for 2 hours under nitrogen. The solvent was removed under reduced pressure, and the product was purified by recrystallization in acetonitrile. Thermal stability was analyzed via TGA at a heating rate of 10°C min⁻¹. Solubility was determined by measuring the maximum concentration of the salt dissolved in PC at 25°C. Ionic conductivity was tested using conductivity meters in various solvent systems. Electrochemical stability was evaluated via cyclic voltammetry with a three-electrode system (platinum wire working electrode, Li plate counter and reference electrodes) at a scan rate of 9 mV s⁻¹.

Conductance, Viscosity and Solubility Properties of Lithium Tetrafluoroborate in Propylene Carbonate

Muhuri, Prakash K., et al. J. CHEM. SOC. FARADAY TRANS. 87.21 (1991): 3511-3513

This study systematically investigated the electrochemical and solution properties of lithium tetrafluoroborate (LiBF₄) in propylene carbonate (PC) at 25°C, including electrical conductance, viscosity, and solubility, with tetraalkylammonium bromides and tetrabutylammonium tetrabutylborate as reference electrolytes. LiBF₄ (Fluka, puriss grade) was dried under vacuum at high temperature for 48 hours before use, and PC was purified by distillation over quicklime under reduced pressure. Conductance measurements were performed using a PyeUnicam PW 9509 conductivity meter, and the data were analyzed by the 1978 Fuoss conductance equation. The limiting molar conductivity (Λ°) of LiBF₄ in PC was 28.48 S cm² mol⁻¹, with an association constant (Kₐ) of 10.09 dm³ mol⁻¹, indicating slight ion-pairing. The limiting ionic conductance of BF₄⁻ was calculated as 19.59 S cm² mol⁻¹, and the Stokes radius of Li⁺ (0.37 nm) was much larger than its crystallographic radius, confirming extensive solvation of Li⁺ in PC. Viscosity measurements using an Ubbelohde-type viscometer showed that LiBF₄ had a viscosity B coefficient of 1.203 dm³ mol⁻¹ at 25°C, similar to that of pentylammonium bromide, and the negative temperature dependence of B coefficients indicated LiBF₄ acts as a structure-maker in PC. Solubility studies via ion-selective electrode technique revealed LiBF₄ has moderate solubility in PC, with the solution exhibiting characteristic electrolyte behavior. These studies demonstrate that LiBF₄ shows slight ion association, extensive Li⁺ solvation, and favorable solution properties in PC, making it a potential electrolyte component for lithium-ion batteries. The properties of LiBF₄ in PC were evaluated through controlled experiments. Purified PC (density 1.1988 g cm⁻³, viscosity 2.471 cP) was used as the solvent. Conductance measurements were carried out at 2000 Hz with a dip-type cell (cell constant 0.751 cm⁻¹) in a thermostatic bath at 25±0.005°C. Viscosity data were analyzed using the Jones-Dole equation to obtain A and B coefficients. Solubility was determined by preparing saturated solutions, equilibrating at 25°C, and measuring ion concentrations with an Orion ion analyzer. Single-ion properties were derived using tetrabutylammonium tetrabutylborate as the reference electrolyte, assuming equal conductances for its cation and anion.

Custom Q&A

What is the molecular formula of Lithium Tetrafluoroborate?

The molecular formula of Lithium Tetrafluoroborate is BF4Li.

What is the molecular weight of Lithium Tetrafluoroborate?

The molecular weight of Lithium Tetrafluoroborate is 93.8 g/mol.

What are the synonyms of Lithium Tetrafluoroborate?

The synonyms of Lithium Tetrafluoroborate are Lithium fluoroborate, lithium borofluoride, and lithium;tetrafluoroborate.

When was Lithium Tetrafluoroborate created?

Lithium Tetrafluoroborate was created on September 14, 2005.

What is the InChIKey of Lithium Tetrafluoroborate?

The InChIKey of Lithium Tetrafluoroborate is UFXJWFBILHTTET-UHFFFAOYSA-N.

What is the CAS number of Lithium Tetrafluoroborate?

The CAS number of Lithium Tetrafluoroborate is 14283-07-9.

How many rotatable bonds are present in Lithium Tetrafluoroborate?

There are no rotatable bonds present in Lithium Tetrafluoroborate.

What is the topological polar surface area of Lithium Tetrafluoroborate?

The topological polar surface area of Lithium Tetrafluoroborate is 0Ų.

What is the physical description of Lithium Tetrafluoroborate?

Lithium Tetrafluoroborate is described as a white hygroscopic solid or off-white odorless powder.

Is Lithium Tetrafluoroborate a canonicalized compound?

Yes, Lithium Tetrafluoroborate is a canonicalized compound.