Bis(4-chlorophenyl)acetic acid

Base Information

• Chemical Name: Bis(4-chlorophenyl)acetic acid
• CAS No.: 83-05-6
• Molecular Formula: C14H10Cl2O2
• Molecular Weight: 281.138
• Hs Code.: 2916399090
• European Community (EC) Number: 201-451-8
• NSC Number: 4279
• UNII: N0U8S29G6E
• DSSTox Substance ID: DTXSID3040699
• Nikkaji Number: J3.870I
• Wikidata: Q27103524
• Metabolomics Workbench ID: 51594
• ChEMBL ID: CHEMBL1879491
• Mol file: 83-05-6.mol

Synonyms:bis(p-chlorophenyl)acetic acid;bis(p-chlorophenyl)acetic acid, 14C-labeled;bis(p-chlorophenyl)acetic acid, potassium salt;bis(p-chlorophenyl)acetic acid, sodium salt;DDA

Chemical Property of Bis(4-chlorophenyl)acetic acid

Chemical Property:

• Vapor Pressure: 1.66E-07mmHg at 25°C
• Melting Point: 167-169 °C
• Refractive Index: 1.616
• Boiling Point: 411.4 °C at 760 mmHg
• PKA: 4.51±0.10(Predicted)
• Flash Point: 202.6 °C
• PSA: 37.30000
• Density: 1.373 g/cm³
• LogP: 4.20990
• Storage Temp.: 0-6°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 280.0057849
• Heavy Atom Count: 18
• Complexity: 258

Purity/Quality:

97% ^*data from raw suppliers

Bis(4-chlorophenyl)acetic acid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-40
• Safety Statements: 7-22-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(=O)O)Cl

Technology Process of Bis(4-chlorophenyl)acetic acid

There total 34 articles about Bis(4-chlorophenyl)acetic 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: 25.0%

chlorobenzene (108-90-7) + Glyoxilic acid (298-12-4) → bis(4'-chlorophenyl)acetic acid (83-05-6)

Guidance literature:

With sulfuric acid; In acetic acid; at 0 - 80 ℃; for 12h; Inert atmosphere;

DOI:10.1002/chem.202100877

Reference yield: 5.0%

formic acid (64-18-6) + 4,4'-dichlorobenzophenone (90-97-1) → bis(4'-chlorophenyl)acetic acid (83-05-6) + bis-(4-chloro-phenyl)-acetic acid-(4,4'-dichloro-benzhydryl ester) (13144-34-8)

Guidance literature:

With sulfuric acid; at 15 ℃; for 1.3h;

DOI:10.1246/cl.1985.1733

Reference yield:

p,p'-DDT (50-29-3,29411-63-0) + acetic acid (64-19-7,77671-22-8) → 1,1-bis(4-chlorophenyl)-2,2-dichloroethylene (72-55-9) + bis(4'-chlorophenyl)acetic acid (83-05-6)

Guidance literature:

DOI:10.1039/jr9460000333

upstream raw materials:

p,p'-DDT

1,1-bis(4-chlorophenyl)-2,2-dichloroethylene

sodium ethanolate

2,2-bis-(4-chloro-phenyl)-acetohydroximoyl chloride

Downstream raw materials:

methyl 2,2-bis(4-chlorophenyl) acetate

ethyl 2,2-bis(4-chlorophenyl)acetate

4,4'-dichlorodiphenylmethane

2,2-bis(p-chlorophenyl)ethanol