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:

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

1,2,3,4,5,6-hexasila-7,8-distannabicyclo[2.2.2]octanes: A novel approach toward bicyclo derivatives of group 14 elements

10.1021/om010801q

The study focuses on the synthesis and characterization of novel bicyclo[2.2.2]octane derivatives containing only tin (Sn) and silicon (Si) atoms in their ring skeletons, specifically 1,2,3,4,5,6-hexasila-7,8-distannabicyclo[2.2.2]octanes. The chemicals used in the study include 1,4-dihalogen-substituted decamethylcyclohexasilanes (Si6Me10X2: X = F, Cl) and diorganodichlorostannanes (R2SnCl2: R = Me, Ph). These compounds were reacted in the presence of magnesium to yield the target stannasilanes 5 and 6. The purpose of these chemicals was to create new compounds with potential applications in materials science and organometallic chemistry, and to investigate the influence of organostannyl groups on the properties of cyclic oligosilanes. The synthesized compounds were characterized using NMR, MS, and elemental analysis, with the solid-state structure of compound 6 determined by X-ray crystallography.

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