2,4-Dichlorobenzoic acid

Base Information

• Chemical Name: 2,4-Dichlorobenzoic acid
• CAS No.: 50-84-0
• Molecular Formula: C7H4Cl2O2
• Molecular Weight: 191.014
• Hs Code.: 2916.39
• European Community (EC) Number: 200-067-8
• NSC Number: 578
• UNII: 0SR0320D45
• DSSTox Substance ID: DTXSID0024977
• Nikkaji Number: J55.459F
• Wikidata: Q27104142
• Metabolomics Workbench ID: 52013
• ChEMBL ID: CHEMBL1492029
• Mol file: 50-84-0.mol

Synonyms:2,4-DCBA;2,4-dichlorobenzoic acid

Chemical Property of 2,4-Dichlorobenzoic acid

Chemical Property:

• Appearance/Colour: White to slightly yellowish powder
• Vapor Pressure: 0.000275mmHg at 25°C
• Melting Point: 157-160 °C(lit.)
• Refractive Index: 1.4590 (estimate)
• Boiling Point: 309.5 °C at 760 mmHg
• Flash Point: 141 °C
• PSA: 37.30000
• Density: 1.517 g/cm³
• LogP: 2.69160
• Storage Temp.: Store below +30°C.
• Solubility.: ethanol: soluble1g/10 mL, clear, colorless
• Water Solubility.: 0.36 g/L (15 ºC)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.9588348
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dichlorobenzoic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Chemical Classes: other linear non-peptide
• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)O
• Uses: 2,4-Dichlorobenzoic Acid is a di-halogenated benzoic acid derivative and an intermediate in the synthesis of spirodiclofen (S682990), a tetronic acid acaricide fungicide used in controlling red mites. 2,4-Dichlorobenzoic acid is used as reagent during the synthesis of pyrimido[2?,1?:2,3]thiazolo[4,5-b]quinoxaline derivatives. It is also used as starting reagent during the synthesis of 1-(substituted)-1,4-dihydro-6-nitro-4-oxo-7-(sub-secondary amino)-quinoline-3-carboxylic acids.

Technology Process of 2,4-Dichlorobenzoic acid

There total 65 articles about 2,4-Dichlorobenzoic 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: 100.0%

1,2-bis(2,4-dichlorobenzylidene)hydrazine (6319-33-1) → 2,4 dichlorobenzoic acid (50-84-0)

Guidance literature:

With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide; In tetrahydrofuran; for 240h; Heating;

DOI:10.1081/SCC-100105891

Reference yield: 99.2%

2,4-dichlorotoluene (95-73-8) → 2,4 dichlorobenzoic acid (50-84-0)

Guidance literature:

With oxygen; nitric acid; at 170 ℃; for 0.11h;

Reference yield: 98.0%

2-bromo-4,6-dichlorobenzoic acid (650598-43-9) → 2,4 dichlorobenzoic acid (50-84-0)

Guidance literature:

With zinc; In sodium hydroxide; at 25 ℃; for 2h;

DOI:10.1002/ejoc.200300355

upstream raw materials:

2,4-dichlorotoluene

3,5-dichloro-1-nitrobenzene

potassium cyanide

4-amino-2-aminobenzoic acid

Downstream raw materials:

4-chloro-2-(6-chloro-[3]pyridylamino)-benzoic acid

4,6-dichlorobenzene-1,3-dicarboxylic acid

2,4-dichlorobenzylnitrile

2-[8]quinolylamino-4-chloro-benzoic acid

Refernces

Synthesis, crystal structure, luminescence and thermal decomposition kinetics of Eu(III) complex with 2,4-dichlorobenzoic acid and 2,2′-bipyridine

10.1016/j.ica.2009.03.010

The study focuses on the synthesis, characterization, crystal structure, luminescence, and thermal decomposition kinetics of a europium (Eu) complex with 2,4-dichlorobenzoic acid and 2,2'-bipyridine. The complex, [Eu(2,4-DClBA)3(bipy)]2, was prepared and characterized using various analytical techniques including elemental analysis, IR and UV spectra, luminescence spectra, 1H NMR spectra, single crystal X-ray diffraction, and TG–DTG techniques. The chemicals used in the study served specific purposes: europium(III) chloride hexahydrate (EuCl3·6H2O) as the europium source, 2,4-dichlorobenzoic acid as a ligand to coordinate with europium, and 2,2'-bipyridine as another coordinating ligand. These chemicals were used to create a complex that exhibits unique luminescent properties and thermal stability, which are of interest for potential applications in areas such as rare-earth fluorescent materials, luminescent probes in biomedical assays, and electroluminescent devices. The study also investigated the thermal decomposition behavior and kinetics of the complex, providing insights into its stability and potential applications.

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