2,4-Dichloro-3-fluorobenzoic acid

Base Information

• Chemical Name: 2,4-Dichloro-3-fluorobenzoic acid
• CAS No.: 915145-05-0
• Molecular Formula: C₇H₃Cl₂FO₂
• Molecular Weight: 209.004
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID60582130
• Wikidata: Q82473455
• Mol file: 915145-05-0.mol

Synonyms:2,4-DICHLORO-3-FLUOROBENZOIC ACID;915145-05-0;MFCD14707646;Benzoic acid, 2,4-dichloro-3-fluoro-;2,4-Dichloro-3-fluorobenzoicacid;SCHEMBL107955;DTXSID60582130;LBOGDFHFACXPKV-UHFFFAOYSA-N;AKOS005258204;MS-20206;SY273423;CS-0193548;2,4-Dichloro-3-fluorobenzoic acid, AldrichCPR;E91045;EN300-7864720;AU-004/43508237

Chemical Property of 2,4-Dichloro-3-fluorobenzoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.83070
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 207.9494129
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98%min ^*data from raw suppliers

2,4-Dichloro-3-fluorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C(=O)O)Cl)F)Cl

Technology Process of 2,4-Dichloro-3-fluorobenzoic acid

There total 2 articles about 2,4-Dichloro-3-fluorobenzoic 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: 88.0%

1,3-dichloro-2-fluorobenzene (2268-05-5) + carbon dioxide (124-38-9,18923-20-1) → 2,4-dichloro-3-fluorobenzoic acid (915145-05-0)

Guidance literature:

1,3-dichloro-2-fluorobenzene; With 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; cyclohexane; at -75 ℃; for 0.75h;

carbon dioxide; In tetrahydrofuran; cyclohexane;

DOI:10.1002/ejoc.200600350

Reference yield:

1,3-dichloro-2-fluorobenzene (2268-05-5) + carbon dioxide (124-38-9,18923-20-1) → 2,4-dichloro-3-fluorobenzoic acid (915145-05-0) + 3‐chloro‐2‐fluorobenzoic acid (161957-55-7)

Guidance literature:

1,3-dichloro-2-fluorobenzene; With sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -75 ℃; for 0.75h;

carbon dioxide; In tetrahydrofuran; cyclohexane; Title compound not separated from byproducts;

DOI:10.1002/ejoc.200600350

upstream raw materials:

1,3-dichloro-2-fluorobenzene

carbon dioxide

Refernces

• 1、 Schlosser, Manfred,Heiss, Christophe,Marzi, Elena,Scopelliti, Rosario. "Proton mobility in 2-substituted 1,3-dichlorobenzenes: "ortho" or "meta" metalation?". . p. 4398 - 4404. Retrieved 2007/10/03.