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Lithium benzoate

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Name

Lithium benzoate

EINECS 209-042-6
CAS No. 553-54-8 Density 1.19 g/cm3
PSA 40.13000 LogP 0.05010
Solubility 33 g/100 mL (25 °C) in water Melting Point 370 °C
Formula C7H5O2Li Boiling Point 249.3 °C at 760 mmHg
Molecular Weight 128.056 Flash Point 111.4 °C
Transport Information N/A Appearance White powder
Safety 22-36 Risk Codes 22
Molecular Structure Molecular Structure of 553-54-8 (Lithium benzoate) Hazard Symbols HarmfulXn
Synonyms

Benzoicacid, lithium salt (8CI,9CI);Lithium benzoate (6CI,7CI);

Article Data 14

Lithium benzoate Consensus Reports

Reported in EPA TSCA Inventory.

Lithium benzoate Specification

The Lithium benzoate, with the CAS registry number 553-54-8 and EINECS registry number 209-042-6, has the systematic name of lithium benzoate. It is a kind of white powder, and usually used as lubricant in troche. And the molecular formula of this chemical is C7H5O2Li. What's more, it should be stored in dry and cool place, and keep away from sources of ignition.

The physical properties of Lithium benzoate are as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/LogD (pH 7.4): -0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.43; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 111.4 °C; (14)Enthalpy of Vaporization: 51.4 kJ/mol; (15)Boiling Point: 249.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0122 mmHg at 25°C.

Uses of Lithium benzoate: It can react with phenethylmagnesium bromide to produce 1,3-diphenyl-propan-1-one. And the yield is about 86%.

Lithium benzoate can react with phenethylmagnesium bromide to produce 1,3-diphenyl-propan-1-one

You should be cautious while dealing with this chemical. It is harmful if swallowed. Therefore, you had better take the following instructions: Do not breathe the dust and wear suitable protective clothings.

You can still convert the following datas into molecular structure:
(1)SMILES: [Li+].[O-]C(=O)c1ccccc1
(2)InChI: InChI=1/C7H6O2.Li/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
(3)InChIKey: LDJNSLOKTFFLSL-REWHXWOFAT

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1198mg/kg (1198mg/kg)   Russian Pharmacology and Toxicology Vol. 33, Pg. 266, 1970.
mouse LD50 subcutaneous 964mg/kg (964mg/kg)   Russian Pharmacology and Toxicology Vol. 33, Pg. 266, 1970.

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