Chlorfenson

Base Information

• Chemical Name: Chlorfenson
• CAS No.: 80-33-1
• Molecular Formula: C12H8 Cl2 O3 S
• Molecular Weight: 303.166
• European Community (EC) Number: 201-270-4
• NSC Number: 5618
• UNII: LW65NJ3YWV
• DSSTox Substance ID: DTXSID5020310
• Nikkaji Number: J3.852K
• Wikidata: Q2964122
• Metabolomics Workbench ID: 149450
• ChEMBL ID: CHEMBL499017
• Mol file: 80-33-1.mol

Synonyms:4-chlorophenyl 4-chlorobenzenesulfonate;chlorfenson;ovex;Ovotran

Chemical Property of Chlorfenson

Chemical Property:

• Vapor Pressure: 3.47E-07mmHg at 25°C
• Melting Point: 86.5-86.8°
• Boiling Point: 429.6oC at 760 mmHg
• Flash Point: 213.6oC
• PSA: 51.75000
• Density: 1.464g/cm3
• LogP: 4.84190
• Storage Temp.: 0-6°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 301.9571207
• Heavy Atom Count: 18
• Complexity: 350

Purity/Quality:

98%,99%, ^*data from raw suppliers

Chlorfenson ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-38-50/53
• Safety Statements: 37-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Organochlorine Pesticides
• Canonical SMILES: C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl
• Uses: Miticide; control of powdery mildew.

Technology Process of Chlorfenson

There total 5 articles about Chlorfenson 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: 88.0%

sodium p-chlorobenzenesulphinate (14752-66-0) + 4-chloro-phenol (106-48-9,82344-39-6) → chlorofensone (80-33-1)

Guidance literature:

With iodine; potassium carbonate; In methanol; at 20 ℃; for 5h; Green chemistry;

DOI:10.1039/c5ra00724k

Reference yield: 75.0%

4-chloro-phenol (106-48-9,82344-39-6) + 4-chlorobenzenesulfonyl chloride (98-60-2) → chlorofensone (80-33-1)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.9b00552

Reference yield:

4-chlorobenzolsulfonsaeure-phenylester (2437-33-4) → chlorofensone (80-33-1)

Guidance literature:

With iodine; chlorine;

upstream raw materials:

4-chlorobenzolsulfonsaeure-phenylester

4-chlorobenzenesulfonyl chloride

sodium 4-chlorophenolate

4-chloro-phenol

Downstream raw materials:

C₁₂H₈Cl₂O₆S₂

4-chloro-benzenesulfonic acid

4-chloro-N-(4-chlorobenzyl)aniline

4-chloro-phenol

Refernces

• 1、 Gao, Jian,Pan, Xiaojun,Liu, Juan,Lai, Junyi,Chang, Liming,Yuan, Gaoqing. "Iodine-induced synthesis of sulfonate esters from sodium sulfinates and phenols under mild conditions". . p. 27439 - 27442. Retrieved 2015/03/31.
• 2、 -. "Alkyl 4-[o-(substituted methyleneamino)-phenyl]-3-thioallophanate miticides and fungicides". . . Retrieved 2008/06/13.