Basic Information | Post buying leads | Suppliers | Cas Database |
Reported in EPA TSCA Inventory.
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%.
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. |