Oxichloron

Base Information

• Chemical Name: Oxichloron
• CAS No.: 4568-36-9
• Molecular Formula: C12H6 Cl4 O4 S
• Molecular Weight: 388.05
• Hs Code.: 2908999090
• DSSTox Substance ID: DTXSID10196589
• Wikidata: Q83069620
• Mol file: 4568-36-9.mol

Synonyms:2,2'-dihydroxy-3,3',5,5'-tetrachlorodiphenylsulfone;bithionol sulfone;oxichloron

Chemical Property of Oxichloron

Chemical Property:

• Boiling Point: 550.2oC at 760 mmHg
• Flash Point: 286.5oC
• PSA: 82.98000
• Density: 1.744g/cm3
• LogP: 5.62500
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 387.871140
• Heavy Atom Count: 21
• Complexity: 432

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1S(=O)(=O)C2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl

Technology Process of Oxichloron

There total 3 articles about Oxichloron 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:

bithionol (97-18-7) → 4,6,4',6'-tetrachloro-2,2'-sulfonyl-di-phenol (4568-36-9)

Guidance literature:

With dihydrogen peroxide; acetic acid;

DOI:10.1021/ja01218a029

Reference yield:

bithionol sulfoxide (844-26-8) → 4,6,4',6'-tetrachloro-2,2'-sulfonyl-di-phenol (4568-36-9)

Guidance literature:

With dihydrogen peroxide; acetic acid;

DOI:10.1021/ja01218a029

Reference yield:

2,4-dichlorophenol (120-83-2,40477-79-0) → 4,6,4',6'-tetrachloro-2,2'-sulfonyl-di-phenol (4568-36-9)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃; 1.2-dichloro-ethane; SOCl₂

2: glacial acetic acid; aqueous H₂O₂

With aluminium trichloride; thionyl chloride; dihydrogen peroxide; acetic acid; 1,2-dichloro-ethane;

DOI:10.1021/ja01218a029

upstream raw materials:

bithionol

bithionol sulfoxide

2,4-dichlorophenol