Lithium benzoate

Base Information

• Chemical Name: Lithium benzoate
• CAS No.: 553-54-8
• Molecular Formula: C7H5O2Li
• Molecular Weight: 128.056
• Hs Code.: 29163990
• European Community (EC) Number: 209-042-6
• UNII: R9Z042Z19E
• DSSTox Substance ID: DTXSID4044957
• Nikkaji Number: J36.645E
• Wikidata: Q2896790
• NCI Thesaurus Code: C76050
• Mol file: 553-54-8.mol

Synonyms:LITHIUM BENZOATE;553-54-8;Benzoic acid, lithium salt;lithium;benzoate;Benzoic acid lithium salt;lithiumbenzoate;Lithium benzoate [NF];EINECS 209-042-6;UNII-R9Z042Z19E;R9Z042Z19E;MFCD00035540;LITHIUM BENZOICUM;Lithium benzoate, 99+%;C7H6O2.Li;LITHIUM BENZOATE [MI];SCHEMBL107117;C7-H6-O2.Li;DTXSID4044957;LITHIUM BENZOICUM [HPUS];LITHIUM BENZOATE [MART.];LDJNSLOKTFFLSL-UHFFFAOYSA-M;LITHIUM BENZOATE [WHO-DD];Benzoic acid lithium salt (1:1);Benzoic acid, lithium salt (1:1);AKOS003025214;AKOS015891551;LS-88058;CS-0013645;FT-0632379;E80877;A870215;Q2896790;Lithiumbenzoatewhitepowder;(+/-)-2-(METHYLAMINO)PROPIOPHENONEHYDROCHLORIDE

Chemical Property of Lithium benzoate

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 0.0122mmHg at 25°C
• Melting Point: 370 °C
• Boiling Point: 249.3 °C at 760 mmHg
• Flash Point: 111.4 °C
• PSA: 40.13000
• Density: 1.19 g/cm³
• LogP: 0.05010
• Water Solubility.: 33 g/100 mL (25 ºC)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.04495783
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99.9% ^*data from raw suppliers

Lithium benzoate 99+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Metals -> Organic Acids, Metal Salts
• Canonical SMILES: [Li+].C1=CC=C(C=C1)C(=O)[O-]
• Uses: Lithium benzoate has been used as a lubricant for compressing tablets. In organic electroluminescent devices, the device with lithium benzoate gives the best performance of all the devices studied. Aromatic multilayers of lithium benzoate were covalently attached to the surface of natural graphite through diazonium chemistry, and the resulting graphite exhibited superior electrochemical performance as anode material of lithium ion batteries.

Technology Process of Lithium benzoate

There total 10 articles about Lithium benzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

benzoic acid (65-85-0,8013-63-6) → lithium benzoate (553-54-8)

Guidance literature:

With lithium hydroxide monohydrate; In methanol; at 40 ℃; for 1h;

DOI:10.1055/s-0039-1690877

Reference yield:

lithium tert-butyl hydroperoxide (14680-31-0) + acetophenone (98-86-2) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + lithium formate (556-63-8) + lithium benzoate (553-54-8) + tert-butyl alcohol (75-65-0)

Guidance literature:

lithium tert-butoxide; In n-heptane; at 40 ℃; Rate constant; Kinetics; other solvents and inhibitors investigated; Energy of activation, A-factor;;

Reference yield:

lithium cumyl peroxide (14680-30-9) → 1-methyl-1-phenylethyl alcohol (617-94-7) + lithium formate (556-63-8) + lithium benzoate (553-54-8) + lithium 2-phenylpropan-2-olate (66584-11-0)

Guidance literature:

In cyclohexene; at 60 ℃; for 8h; Yield given. Yields of byproduct given;

upstream raw materials:

benzoic acid anhydride

lithium tert-butyl hydroperoxide

acetophenone

benzoic acid

Downstream raw materials:

1-Benzoylphenothiazine

5-methyl-furan-2-yl phenyl ketone

2,2-dimethylpropiophenone

phenyl butyl ketone

Refernces

• 1、 Horká, Petra,Vrkoslav, Vladimír,Hanus, Robert,Pecková, Karolina,Cva?ka, Josef. "New MALDI matrices based on lithium salts for the analysis of hydrocarbons and wax esters". . p. 628 - 638. Retrieved 2014/07/22.
• 2、 Beak, Peter,Pfeifer, Lance A.. "The reaction of n-butyllithium with benzoic acid: Is nucleophilic addition competitive with deprotonation?". . p. 537 - 541. Retrieved 2007/10/03.