2-Benzoyl-4,5-dichlorobenzoic acid

Base Information

• Chemical Name: 2-Benzoyl-4,5-dichlorobenzoic acid
• CAS No.: 33184-58-6
• Molecular Formula: C14H8Cl2O3
• Molecular Weight: 295.11800
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID801295939
• Mol file: 33184-58-6.mol

Synonyms:2-Benzoyl-4,5-dichlorobenzoic acid;33184-58-6;SCHEMBL8784827;UANXQRUISIOKRY-UHFFFAOYSA-N;DTXSID801295939;2-Benzoyl-4,5-dichlorobenzoicacid

Chemical Property of 2-Benzoyl-4,5-dichlorobenzoic acid

Chemical Property:

• Melting Point: 206-208 °C
• Boiling Point: 502.5±50.0 °C(Predicted)
• PKA: 2.94±0.10(Predicted)
• PSA: 54.37000
• Density: 1.446±0.06 g/cm3(Predicted)
• LogP: 3.92260
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 293.9850495
• Heavy Atom Count: 19
• Complexity: 353

Purity/Quality:

2-Benzoyl-4,5-dichlorobenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)Cl)Cl

Technology Process of 2-Benzoyl-4,5-dichlorobenzoic acid

There total 4 articles about 2-Benzoyl-4,5-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:

4,5-dichlorophthalic anhydride (942-06-3) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-benzoyl-4,5-dichloro-benzoic acid (33184-58-6)

Guidance literature:

With aluminium trichloride; 1,1,2,2-tetrachloroethane;

Reference yield:

3,4-Dichlorotoluene (95-75-0) + benzoyl chloride (98-88-4) → 2-benzoyl-4,5-dichloro-benzoic acid (33184-58-6)

Guidance literature:

Multistep reaction; (i) AlCl₃, (ii) CrO₃, aq. H₂SO₄, AcOH;

DOI:10.1021/jm00236a014

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-benzoyl-4,5-dichloro-benzoic acid (33184-58-6)

Guidance literature:

With aluminium trichloride;

upstream raw materials:

4,5-dichlorophthalic anhydride

benzene

3,4-Dichlorotoluene

benzoyl chloride

Downstream raw materials:

2,3-dichloro-anthraquinone

6,7-dichloro-1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid

Refernces