2-Chloro-4,5-difluorobenzoic acid

Base Information

• Chemical Name: 2-Chloro-4,5-difluorobenzoic acid
• CAS No.: 110877-64-0
• Molecular Formula: C7H3ClF2O2
• Molecular Weight: 192.549
• Hs Code.: 29163990
• European Community (EC) Number: 405-380-5,627-901-7
• DSSTox Substance ID: DTXSID60353180
• Nikkaji Number: J243.006A
• Wikidata: Q72518321
• Mol file: 110877-64-0.mol

Synonyms:2-Chloro-4,5-difluorobenzoic acid;110877-64-0;MFCD00077479;Benzoic acid, 2-chloro-4,5-difluoro-;2-chloro-4,5-difluoro-benzoic acid;2'-chloro-4',5'-difluorobenzoic acid;SCHEMBL979056;DTXSID60353180;2-Chloro-4,5-difluorobenzoicacid;2 -chloro-4,5-difluorobenzoic acid;2-chloro-4,5- difluorobenzoic acid;AKOS000120274;AC-3925;CS-W015797;GS-3091;NCGC00338548-01;2-Chloro-4,5-difluorobenzoic acid, 99%;AM20060085;FT-0611747;EN300-20048;AB01141503-03;J-508711;F0001-0232;Z104476586

Chemical Property of 2-Chloro-4,5-difluorobenzoic acid

Chemical Property:

• Appearance/Colour: White to light yellow crystal powder
• Vapor Pressure: 0.00273mmHg at 25°C
• Melting Point: 103-106 °C
• Boiling Point: 273.8 °C at 760 mmHg
• PKA: 2.50±0.25(Predicted)
• Flash Point: 119.4 °C
• PSA: 37.30000
• Density: 1.573 g/cm³
• LogP: 2.31640
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 5.0 g/L (20 ºC)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.9789634
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-4,5-difluorobenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-41-43-21/22-20/21/22
• Safety Statements: 26-39-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)F)Cl)C(=O)O

Technology Process of 2-Chloro-4,5-difluorobenzoic acid

There total 17 articles about 2-Chloro-4,5-difluorobenzoic acid 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: 90.0%

2'-chloro-4',5'-difluoroacetophenone (121872-94-4) → 2-chloro-4,5-difluorobenzoic acid (110877-64-0)

Guidance literature:

With sodium hypochlorite;

Reference yield: 75.0%

2-chloro-5-fluoro-4-nitrobenzoic acid + 4-chlorosulfonyl chloride → 2-chloro-4,5-difluorobenzoic acid (110877-64-0)

Guidance literature:

With KF; benzenesulfonyl chloride; In sulfolane; thionyl chloride;

Reference yield:

2-amino-4,5-difluorobenzoic acid (83506-93-8) → 2-chloro-4,5-difluorobenzoic acid (110877-64-0)

Guidance literature:

With sodium nitrate; copper(l) chloride; In hydrogenchloride; water;

upstream raw materials:

2'-chloro-4',5'-difluoroacetophenone

2-chloro-4,5-difluoro-α-chloroacetophenone

4-chloro-1,2-difluorobenzene

2-fluoro-5-chloronitrobenzene

Downstream raw materials:

2-chloro-4,5-difluorobenzamide

(2-chloro-5-fluoro-4-methoxyphenyl)methanol

2-(2,4-difluorophenylamino)-4,5-difluorobenzoic acid

2-N-cyclopropylamino-4,5-difluorobenzoic acid

Refernces

• 1、 -. "INHIBITORS OF STEAROYL-COA DESATURASE". . . Retrieved 2009/06/27.
• 2、 -. "Method of preparing fluoroaromatic compounds". . . Retrieved 2008/06/13.