Benzoic acid, lithiumsalt (1:1)

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: