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:

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

N-(2-Methoxyphenyl)-4-chloroanthranilic acid

2-[(4-methylphenyl)amino]-5-chlorobenzoic acid

4-chloro-2-(phenylsulfanyl)benzoic acid

Refernces

• 1、 -. "Continuous production method of benzoic acid derivative". Paragraph 0032-0033; 0035. . Retrieved 2021/11/14.
• 2、 -. "Method for catalytic oxidation of toluene and derivatives thereof by metalloporphyrin". Paragraph 0079-0080. . Retrieved 2020/09/30.