2,3,4-Trichlorobenzoic acid

Base Information

• Chemical Name: 2,3,4-Trichlorobenzoic acid
• CAS No.: 50-75-9
• Molecular Formula: C7H3Cl3O2
• Molecular Weight: 225.459
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID3075331
• Nikkaji Number: J55.468E
• Wikidata: Q72510219
• Mol file: 50-75-9.mol

Synonyms:2,3,4-Trichlorobenzoic acid;50-75-9;Benzoic acid, trichloro-;BRN 1872130;BENZOIC ACID, 2,3,4-TRICHLORO-;AI3-33350;2,3,4-TRICHLOROBENZOICACID;SCHEMBL432644;DTXSID3075331;AKOS016009448;AM806682;LS-38356;FT-0651080;A20968;EN300-115026;Z1269141366

Chemical Property of 2,3,4-Trichlorobenzoic acid

Chemical Property:

• Boiling Point: 340.3°Cat760mmHg
• Flash Point: 159.6°C
• PSA: 37.30000
• Density: 1.635g/cm³
• LogP: 3.34500
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 223.919862
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

2,3,4-TRICHLOROBENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C(=O)O)Cl)Cl)Cl
• Uses: 2,3,4-Trichlorobenzoic Acid is used in the development of rare earth complex-doped fluorescent powder.

Technology Process of 2,3,4-Trichlorobenzoic acid

There total 20 articles about 2,3,4-Trichlorobenzoic 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: 99.0%

2',3',4'-trichloroacetophenone (13608-87-2) → 2,3,4-trichlorobenzoic acid (50-75-9)

Guidance literature:

With bromine; sodium hydroxide; In 1,4-dioxane; water; at 0 - 20 ℃; for 16h;

DOI:10.1021/jacs.0c11056

Reference yield: 90.0%

carbon dioxide (124-38-9,18923-20-1) + 1,2,3-trichlorobenzene (87-61-6) → 2,3,4-trichlorobenzoic acid (50-75-9)

Guidance literature:

1,2,3-trichlorobenzene; 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: 68.0%

tert.-butylhydroperoxide (75-91-2) + 2',3',4'-trichloroacetophenone (13608-87-2) → 2,3,4-trichlorobenzoic acid (50-75-9)

Guidance literature:

With tungsten(VI) oxide; In water; at 80 ℃; for 15h; Schlenk technique; Glovebox; Reflux;

DOI:10.1039/c5dt00505a

upstream raw materials:

2,3,4-trichlorobenzaldehyde

2,3,4-trichlorotoluene

2,3,4-trichloro-1-(trichloromethyl)benzene

2,3,4-tri-chloro-benzonitrile

Downstream raw materials:

(2,3,4-trichlorophenyl)methanol

2,3,4-Trichlor-benzoylchlorid

C₁₇H₁₁Cl₃N₄S₂

methyl 2,3,4-trichlorobenzoate

Refernces

• 1、 Golding, William A.,Schmitt, Hendrik L.,Phipps, Robert J.. "Systematic Variation of Ligand and Cation Parameters Enables Site-Selective C-C and C-N Cross-Coupling of Multiply Chlorinated Arenes through Substrate-Ligand Electrostatic Interactions". supporting information. p. 21891 - 21898. Retrieved 2021/01/11.
• 2、 Gassmann, Joerg,Voss, Juergen. "Electroreduction of organic compounds, 36 [1]. Electroreduction of chlorinated methyl benzoates". experimental part. p. 1291 - 1299. Retrieved 2009/06/19.