Sodium 2-fluorobenzoate

Base Information

• Chemical Name: Sodium 2-fluorobenzoate
• CAS No.: 490-97-1
• Molecular Formula: C7H5 F O2 . Na
• Molecular Weight: 162.096
• Hs Code.: 2916399090
• European Community (EC) Number: 610-444-2
• DSSTox Substance ID: DTXSID00197661
• Nikkaji Number: J1.292.697I
• Mol file: 490-97-1.mol

Synonyms:sodium 2-fluorobenzoate;490-97-1;2-FLUOROBENZOIC ACID SODIUM;Sodium o-fluorobenzoate;sodium;2-fluorobenzoate;Benzoic acid, 2-fluoro-, sodium salt;Benzoic acid, o-fluoro-, sodium salt;2-Fluorobenzoic acid sodium salt;Benzoic acid, 2-fluoro-, sodium salt (1:1);C7H4FO2.Na;SODIUM2-FLUOROBENZOATE;sodium fluorobenzoate;SCHEMBL9175790;DTXSID00197661;CK1072;MFCD01661442;AKOS003051593;AKOS006222292;LS-37441;FT-0632216;A827657;Q-200285

Chemical Property of Sodium 2-fluorobenzoate

Chemical Property:

• Vapor Pressure: 0.016mmHg at 25°C
• Boiling Point: 244.7 °C at 760 mmHg
• Flash Point: 101.8 °C
• PSA: 40.13000
• LogP: 0.18920
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.00930181
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

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

Sodium2-Fluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Sodium 2-fluorobenzoate

There total 1 articles about Sodium 2-fluorobenzoate 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:

4-nitrophenol sodium salt (824-78-2) + o-fluoro-benzoic acid (445-29-4) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + sodium 2-fluorobenzoate (490-97-1)

Guidance literature:

With 1-butyl-2,3-dimethylimidazolium bis-(trifluoromethanesulfonyl)amide; In methanol; at 24.84 ℃; Reagent/catalyst; Equilibrium constant;

DOI:10.1021/jo100914p

Reference yield: 87.2%

zirconocene dichloride (1291-32-3) + sodium 2-fluorobenzoate (490-97-1) → bis(η5-cyclopentadienyl)zirconium(IV)(o-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: 70.0%

N-(2-methylbenzoyl)-8-aminoquinoline (1182669-71-1) + sodium 2-fluorobenzoate (490-97-1) → 2'-fluoro-3-methyl-N-(quinolin-8-yl)-[1,1'-biphenyl]-2-carboxamide

Guidance literature:

With nickel(II) acetate tetrahydrate; sodium carbonate; silver carbonate; Trimethylacetic acid; In N,N-dimethyl acetamide; at 110 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acscatal.7b01683

upstream raw materials:

4-nitrophenol sodium salt

o-fluoro-benzoic acid

Downstream raw materials:

trifluoromethan

2-Fluoro-benzoic acid difluoromethyl ester

Phenacyl-o-fluorbenzoat

o-Fluor-benzoesaeure-p-brom-phenacylester

Refernces