2,3,4,5-Tetrachlorobenzoic acid

Base Information

• Chemical Name: 2,3,4,5-Tetrachlorobenzoic acid
• CAS No.: 50-74-8
• Molecular Formula: C7H2Cl4O2
• Molecular Weight: 259.904
• European Community (EC) Number: 672-589-8
• DSSTox Substance ID: DTXSID20870383
• Nikkaji Number: J83.521H
• Mol file: 50-74-8.mol

Synonyms:2,3,4,5-TETRACHLOROBENZOIC ACID;50-74-8;Benzoic acid, 2,3,4,5-tetrachloro-;2,3,4,5-Tetrachlorobenzoicacid;BRN 1968627;AI3-33359;2,3,4,5-Tetrachloro Benzoic Acid;tetrachlorobenzoic acid;Benzoic acid, tetrachloro-;SCHEMBL1437003;DTXSID20870383;3,4,5,6-tetrachlorobenzoic acid;2,3,4,5-tetrachloro-benzoic acid;MFCD00061126;AKOS015963373;s10913;AC-19970;LS-38293;CS-0213104;FT-0698492;T2378;A828281;27358-02-7

Chemical Property of 2,3,4,5-Tetrachlorobenzoic acid

Chemical Property:

• Vapor Pressure: 6.65E-06mmHg at 25°C
• Melting Point: 195 °C
• Refractive Index: 1.622
• Boiling Point: 362.9 °C at 760 mmHg
• PKA: 1.80±0.32(Predicted)
• Flash Point: 173.3 °C
• PSA: 37.30000
• Density: 1.735 g/cm³
• LogP: 3.99840
• Solubility.: soluble in Methanol
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 259.877940
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

2,3,4,5-Tetrachlorobenzoic Acid >97.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O

Technology Process of 2,3,4,5-Tetrachlorobenzoic acid

There total 16 articles about 2,3,4,5-Tetrachlorobenzoic 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: 76.0%

methanol (67-56-1) + 2-carboxy-3,4,5,6-tetrachlorobenzendiazonium chloride → 2,3,4,5-tetrachlorobenzoic acid (50-74-8) + 2,3,4,5-tetrachlorophenol anisole (938-86-3)

Guidance literature:

for 0.5h; Ambient temperature;

DOI:10.1016/0040-4020(95)00115-O

Reference yield: 63.0%

methanol (67-56-1) + 2-carboxy-3,4,5,6-tetrachlorobenzenediazonium fluoroborate → 2,3,4,5-tetrachlorobenzoic acid (50-74-8) + 2,3,4,5-tetrachlorophenol anisole (938-86-3)

Guidance literature:

DOI:10.1016/0040-4020(95)00115-O

Reference yield:

o-(p-methylbenzoyl)tetrachlorobenzoic acid (83738-92-5) → 2,3,4,5-tetrachlorobenzoic acid (50-74-8) + p-Toluic acid (99-94-5)

Guidance literature:

at 210 - 215 ℃;

upstream raw materials:

tetrachlorophthalic acid

pentachloro-α,α-dichlorotoluene

tetrachlorophthalic anhydride

4,5,6,7,7-Pentachlor-heptatrien-(2t,4c,5)-saeure

Downstream raw materials:

2,3,4,5-tetrachlorobenzoyl chloride

methyl 2,3,4,5-tetrachlorobenzoate

Refernces

• 1、 -. "Preparation method of 2,3,4,5-tetrachlorobenzoyl chloride". Paragraph 0016; 0018. . Retrieved 2018/03/25.
• 2、 Christopher Buxton,Heaney, Harry. "Aryne formation from 1-(3′-Carboxyaryl)-3,3-dim ethyl trianzenes". . p. 3929 - 3938. Retrieved 2007/10/02.