21324-40-3

Basic information

• Product Name: Lithium hexafluorophosphate
• Synonyms: Lithiumhexafluorophosphate (7CI);Phosphate(1-), hexafluoro-, lithium (8CI,9CI);Lithium fluophosphate;Lithium hexafluorophosphate (LiPF6);Lithiumhexafluorophosphate(1-);Lithium phosphorus fluoride (LiPF6);Phosphate(1-), hexafluoro-, lithium;Phosphate(1-), hexafluoro-, lithium (1:1)
• CAS NO: 21324-40-3
• Molecular Formula: F₆P*Li
• Molecular Weight: 151.9051802
• EINECS: 244-334-7
• Mol File: 21324-40-3.mol

Chemical Properties

• Melting Point: 200℃ (dec.)
• Appearance: white crystalline powder
• Density: 1.5
• Water Solubility: soluble
• CAS DataBase Reference: Lithium hexafluorophosphate(CAS DataBase Reference)
• NIST Chemistry Reference: Lithium hexafluorophosphate(21324-40-3)
• EPA Substance Registry System: Lithium hexafluorophosphate(21324-40-3)

Safety Data

• Hazard Codes: T:Toxic
• Statements: R22:; R24:; R34:
• Safety Statements: S26:; S28A:; S36/37/39:; S45:
• Hazardous Substances Data: 21324-40-3(Hazardous Substances Data)

Usage

Uses

Used in Energy Storage Industry:
Lithium hexafluorophosphate is used as an electrolyte in lithium-ion batteries for its ability to improve the stability and energy density of the batteries, which is crucial for the performance and longevity of energy storage devices.
Used in Organic Synthesis:
In the field of organic chemistry, lithium hexafluorophosphate serves as a catalyst, facilitating various chemical reactions and contributing to the synthesis of complex organic compounds.
Used in Fire Safety Industry:
Lithium hexafluorophosphate is also used as a component in some types of fire extinguishing agents, where its properties help in effectively managing and extinguishing fires.

InChI:InChI=1/F6P.Li/c1-7(2,3,4,5)6;/q-1;+1

Upstream product

• 10026-13-8 phosphorus pentachloride 
• 7664-39-3 hydrogen fluoride 
• 7789-24-4 lithium fluoride 
• 7647-19-0 phosphorus pentafluoride 
• 7782-41-4 fluorine 
• 19200-21-6 nitronium hexafluorophosphate 
• 12527-46-7 lithium cuprate 
• 17084-13-8 potassium hexafluorophosphate 
• 60969-19-9 thallium(I) hexafluorophosphate 
• 75-09-2 dichloromethane 
• 26042-63-7 silver(I) hexafluorophosphate 
• 1310-66-3 lithium hydroxide monohydrate 
• 553-91-3 lithium oxalate 

Downstream Products

• 7664-39-3 hydrogen fluoride 
• 7439-93-2 lithium 
• 13478-20-1 trifluorophosphoric acid 
• 124-38-9 carbon dioxide 
• 13779-41-4 difluorophosphoric acid 
• 7647-19-0 phosphorus pentafluoride 
• 13537-32-1 fluorophosphoric acid 
• 7789-24-4 lithium fluoride 
• 7439-95-4 magnesium 
• 104738-59-2 (cyclopentadienyl)bis(trimethylphosphane){(triphenylphosphane)gold}cobalt-hexafluorophosphate 
• 104738-64-9 bis(cyclopentadienyl)-bis(μ-dimethylphosphido)-{μ(triphenylphosphane)gold}-dicobalt-hexafluorophosphate 
• 100-52-7 benzaldehyde 
• 502-42-1 cycloheptanone 
• 464156-72-7 [ruthenium(IV)(CCCH(C(Me)C(C6H5)2))(η5-indenyl)(PPh3)2][PF6] 

Relevant articles and documents

Highly Dynamic Coordination Behavior of Pn Ligand Complexes towards "naked" Cu+ Cations

Reactions of Cu+ containing the weakly coordinating anion [Al{OC(CF3)3}4]- with the polyphosphorus complexes [{CpMo(CO)2}2(μ,η2:η2-P2)] (A), [CpM(CO)2(η3-P3)] (M=Cr(B1), Mo (B2)), and [CpFe(η5-P5)] (C) are presented. The X-ray structures of the products revealed mononuclear (4) and dinuclear (1, 2, 3) CuI complexes, as well as the one-dimensional coordination polymer (5 a) containing an unprecedented [Cu2(C)3]2+ paddle-wheel building block. All products are readily soluble in CH2Cl2 and exhibit fast dynamic coordination behavior in solution indicated by variable temperature 31P{1H}NMR spectroscopy.

Calorimetric study of thermal decomposition of lithium hexafluorophosphate

Enthalpy of formation of lithium hexafluorophosphate was calculated based on the differential scanning calorimetry study of heat capacity and thermal decomposition. It was found that thermal decomposition of LiPF6 proceeds at normal pressure in

Local structure of Li+ in concentrated LiPF6-dimethyl carbonate solutions

Neutron diffraction measurements have been carried out at 25 °C for 9.6 mol% LiPF6-deutrerated dimethyl carbonate (DMC-d6) solutions in which the isotopic ratio of 6Li/7Li was changed. Local structure of Li+ in the solution was derived from the least squares fitting analysis of observed difference function, ΔLi(Q). It was revealed that Li+ is surrounded by ca. 3 DMC molecules and ca. 1 PF6- with intermolecular distances of r(Li+ O(DMC)) = 2.08 ± 0.02 ? and r(Li+F(PF6-)) = 2.03 ± 0.06 ?, respectively. Raman experimental study and DFT calculations agree well with neutron structure analysis.

Preparation of lithium hexafluorophosphate from LiF and P in fluorine atmosphere

Pure lithium hexafluorophosphate (LiPF6) has been successfully prepared by the reaction between the elemental fluorine and the equi-molar mixture of LiF and P (F2 direct method). The product was pure enough to be used as an electrolyte salt of lithium secondary battery. Especially, the stepwise introducing of fluorine gas into a reaction system was effective to prepare LiPF6 in a high yield. The results of Rietveld refinement of XRD data revealed that the structure of LiPF6 was trigonal (R3, Z = 3, a0 = 0.4932(2), c0 = 1.2641 (5) nm, cell volume; 2.663(2) × 10-28 m3). The cell constants of LiPF6 prepared by the F2 direct method were almost the same as those of LiPF6 prepared by the reaction between LiF and PF5 in a liquid anhydrous hydrogen fluoride (L-AHF method).

Preparation of Pure LiPF6 using fluorine gas at room temperature

Pure lithium hexafluorophosphate (LiPF6) was successfully prepared at room temperature (23 °C) by introducing fluorine gas into a reactor containing LiF and P at -196 °C. The mass fractions of LiPF 6 and LiF in products prepared at 23 °C were 1.00 and 0.00, respectively, by means of XRD-Rietveld analysis. Namely, the prepared LiPF 6 was pure enough to be used as an electrolyte salt in lithium ion batteries.

METHOD FOR PRODUCING LITHIUM HEXAFLUOROPHOSPHATE ETHER COMPLEX

PROBLEM TO BE SOLVED: To provide a method for producing a lithium hexafluorophosphate carbonate complex by an efficient and simple method in good yield, which solves the problems and can be applied to an electrolyte and the like. SOLUTION: The problems of the present invention can be solved by the method for producing lithium hexafluorophosphate carbonate complex. SELECTED DRAWING: None COPYRIGHT: (C)2017,JPOandINPIT

A four fluorine oxalic acid method for preparing lithium phosphate (by machine translation)

The invention provides a simple, utility, can be large-scale industrial production of the method for preparing lithium phosphate fluorine oxalic acid. The present invention provides a method for preparing lithium phosphate fluorine oxalic acid , which is characterized in that its specific method is as follows: first of all, lithium oxalate weighed and placed in the filtering device and with the jacket of the 316L stainless steel reaction kettle in A, fully stirring 2-6 hours, so as to be fully dissolved in the water-free in HF; then, with the other of the stirring device is a jacket and 316L stainless steel reactor in B reaction is carried out by adding phosphorus pentachloride and hydrogen fluoride, the advantage of this invention lies in the use of the price is cheap raw material preparation oxytetrafluoride oxalic acid lithium phosphate, the method the preparation method is simple, the other method is overcome more reaction steps, reaction consumption is great, and the final product the shortcoming of excessive impurities, thus the cost can be saved greatly. (by machine translation)

METHOD FOR PRODUCING LITHIUM HEXAFLUOROPHOSPHATE ETHER COMPLEX AND LITHIUM HEXAFLUOROPHOSPHATE ETHER COMPLEX

PROBLEM TO BE SOLVED: To provide a method for producing a lithium hexafluorophosphate carbonate complex that can be directly applied to an electrolyte or the like with good yields using an efficient and simple method. SOLUTION: There is provided a method for producing a lithium hexafluorophosphate ether complex that can easily lead to a lithium hexafluorophosphate carbonate complex which can be directly applied to an electrolyte or the like when a primary component of the electrolyte is a carbonate compound. SELECTED DRAWING: None COPYRIGHT: (C)2016,JPOandINPIT

[Li(XeF2)n](AF6) (A = P, As, Ru, Ir), the first xenon(II) compounds of lithium. Synthesis, Raman spectrum, and crystal structure of [Li(XeF2)3](AsF6)

The reactions between compounds of the type MAF6 (M = alkali metal; A = P, As, V, Ru, Ir, Sb, Nb, Ta) and xenon difluoride were studied in anhydrous hydrogen fluoride solvent. The coordination products [M(XeF 2)n]AsF6 were only observed in the case of LiAF6 (A = P, As, Ru, Ir), and the crystal structure of [Li(XeF 2)3]AsF6 was determined (monoclinic space group P21 with a = 6.901(9) A, b = 13.19(2) A, c = 6.91(1) A, β = 91.84(2), and Z = 2). The coordination sphere of lithium is comprised of six F atoms. The compound series was also characterized by Raman spectroscopy.

Metathetical reactions in the system Na(K)PF6 - LiBF4 - Aprotic media

19F NMR spectroscopy, X-ray powder diffraction, elemental analysis, and ab initio quantum chemical calculations were used to study metathetical reactions between potassium or sodium hexafluorophosphate and lithium tetrafluoroborate in a mixture of propylene carbonate (PC) - dimethyl carbonate (DMC). It was shown that the increase in size of the cations in the second coordination sphere from Na+ to K+ results in an increase of the equilibrium conversion. This is in agreement with the influence of the cation size on the solubility of tetrafluoroborates in the media investigated.