2,3,4,5-Tetrachlorothiophene 1,1-dioxide

Base Information

• Chemical Name: 2,3,4,5-Tetrachlorothiophene 1,1-dioxide
• CAS No.: 72448-17-0
• Molecular Formula: C4Cl4 O2 S
• Molecular Weight: 253.921
• DSSTox Substance ID: DTXSID20376370
• Nikkaji Number: J770.544A
• Wikidata: Q82165314
• Mol file: 72448-17-0.mol

Synonyms:2,3,4,5-tetrachlorothiophene 1,1-dioxide;72448-17-0;Thiophene,2,3,4,5-tetrachloro-, 1,1-dioxide;Thiophene,2,3,4,5-tetrachloro-,1,1-dioxide;tetrachlorothiophene dioxide;SCHEMBL472752;Tetrachlorothiophene 1,1-dioxide;DTXSID20376370;FT-0609341

Chemical Property of 2,3,4,5-Tetrachlorothiophene 1,1-dioxide

Chemical Property:

• Vapor Pressure: 0.188mmHg at 25°C
• Boiling Point: 218.2oC at 760 mmHg
• Flash Point: 85.8oC
• PSA: 42.52000
• Density: 1.97g/cm3
• LogP: 3.78900
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 253.834361
• Heavy Atom Count: 11
• Complexity: 328

Purity/Quality:

98%min ^*data from raw suppliers

2,3,4,5-TETRACHLOROTHIOPHENE 1,1-DIOXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(S(=O)(=O)C(=C1Cl)Cl)Cl)Cl
• Uses: Tetrachlorothiophene dioxide is an intermediate in the synthesis of 1,2,3,4,6-Pentachloronaphthalene (P237530), which is a standard for environmental testing and research and a substance for the discriminant analysis for activation of aryl hydrocarbon receptor by polychlorinated naphthalenes.

Technology Process of 2,3,4,5-Tetrachlorothiophene 1,1-dioxide

There total 2 articles about 2,3,4,5-Tetrachlorothiophene 1,1-dioxide 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: 97.0%

2,3,4,5-tetrachlorothiophene (6012-97-1) → 2,3,4,5-tetrachlorothiophene-1,1-dioxide (72448-17-0)

Guidance literature:

With trifluoroacetyl peroxide; In dichloromethane; at 20 ℃;

DOI:10.1021/ja012051h

Reference yield: 50.0%

2,3,4,5-tetrachlorothiophene (6012-97-1) → 2,3,4,5-tetrachlorothiophene-1,1-dioxide (72448-17-0) + 2,3,3a,4,5,6,7,7a-octachloro-3a,7a-dihydrobenzothiophene (72524-62-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In 1,2-dichloro-ethane; for 48h; Heating;

DOI:10.1021/jo01293a019

Reference yield: 93.0%

2-Butylfuran (4466-24-4) + 2,3,4,5-tetrachlorothiophene-1,1-dioxide (72448-17-0) → 1-(2,3,4,5-Tetrachloro-phenyl)-hexan-2-one (72541-71-0)

Guidance literature:

In hexane; at 65 ℃; for 0.5h;

DOI:10.1021/jo01293a020

upstream raw materials:

2,3,4,5-tetrachlorothiophene

Downstream raw materials:

1,2,3,4-Tetrachloro-5-hept-6-enyl-cyclohexa-1,3-diene

(2,3,4,5-tetrachlorophenyl)acetaldehyde

C₁₂H₄Cl₈O₃S

1-(2,3,4,5-Tetrachloro-phenyl)-propan-2-one