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Lithium benzoate

  • Name Lithium benzoate
  • EINECS209-042-6
  • CAS No. 553-54-8
  • Density1.19 g/cm3
  • PSA40.13000
  • LogP0.05010
  • Solubility33 g/100 mL (25 °C) in water
  • Melting Point370 °C
  • FormulaC7H5O2Li
  • Boiling Point249.3 °C at 760 mmHg
  • Molecular Weight128.056
  • Flash Point111.4 °C
  • Transport InformationN/A
  • AppearanceWhite powder
  • Safety22-36
  • Risk Codes22
  • Molecular Structure
    Molecular Structure of 553-54-8 (Lithium benzoate)
  • Hazard SymbolsHarmfulXn
  • SynonymsHarmfulXn
  • Article Data14

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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