3-Fluoranylbenzoic acid; sodium

Base Information

• Chemical Name: 3-Fluoranylbenzoic acid; sodium
• CAS No.: 499-57-0
• Molecular Formula: C7H4FNaO2
• Molecular Weight: 162.096
• Hs Code.: 2916399090
• Mol file: 499-57-0.mol

Synonyms:3-fluorobenzoic acid; sodium;3-fluoranylbenzoic acid;sodium;CS-0206058;A827904

Chemical Property of 3-Fluoranylbenzoic acid; sodium

Chemical Property:

• Vapor Pressure: 0.0109mmHg at 25°C
• Boiling Point: 251.1 °C at 760 mmHg
• Flash Point: 105.7 °C
• PSA: 40.13000
• LogP: 0.18920
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.01712684
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98%,99%, ^*data from raw suppliers

Sodium3-Fluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)C(=O)O.[Na]

Technology Process of 3-Fluoranylbenzoic acid; sodium

There total 1 articles about 3-Fluoranylbenzoic acid; sodium 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:

3-fluorobenzoic acid (455-38-9) → sodium m-fluorobenzoate (499-57-0)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1021/la100863q

Reference yield: 82.0%

zirconocene dichloride (1291-32-3) + sodium m-fluorobenzoate (499-57-0) → bis(η5-cyclopentadienyl)zirconium(IV)(m-FC6H4COO)chloride

Guidance literature:

In benzene; byproducts: NaCl; under N2; anhydrous sodium salt of acid, complex and benzene stirred for 10h at 30°C, pptn. of NaCl; filtered, concd. (reduced pressure), addn. of petroleum ether, recrystd. (benzene/petroleum ether), dried (vac.); elem. anal.;

DOI:10.1016/S0277-5387(00)86796-0

Reference yield: 81.0%

bis(cyclopentadienyl)titanium dichloride (1271-19-8) + sodium m-fluorobenzoate (499-57-0) → (C5H5)2Ti(OCOC6H4F)2

Guidance literature:

In benzene; a mixt. of (η-C5H5)2TiCl2 and Na salt of the substituted benzoic acid in anhydrous benzene stirred at 30°C for 4 h; orange soln. filtered, concd., crystn. (refrigerator), recrystd. (benzene);

DOI:10.1016/0022-328X(90)80063-6

upstream raw materials:

3-fluorobenzoic acid

Refernces

• 1、 Yusof, Nor Saadah M.,Khan, M. Niyaz. "Determination of an ion exchange constant by the use of a kinetic probe: A new semiempirical kinetic approach involving the effects of 3-F- and 4-F-substituted benzoates on the rate of piperidinolysis of anionic phenyl salicylate in aqueous cationic micelles". . p. 10627 - 10635. Retrieved 2010.