2-Chlorobenzothiophene sulfone

Base Information

• Chemical Name: 2-Chlorobenzothiophene sulfone
• CAS No.: 10133-41-2
• Molecular Formula: C₈H₅ClO₂S
• Molecular Weight: 200.645
• DSSTox Substance ID: DTXSID50143855
• Nikkaji Number: J385.828F
• Wikidata: Q83007872
• Mol file: 10133-41-2.mol

Synonyms:2-Chlorobenzothiophene sulfone;2-chloro-1-benzothiophene 1,1-dioxide;10133-41-2;SCHEMBL11633944;DTXSID50143855;2-chlorobenzo[b]thiophene 1,1-dioxide;2-Chloro-benzo(b)thiophene-1,1-dioxide;Benzo[b]thiophene, 2-chloro-, 1,1-dioxide;InChI=1/C8H5ClO2S/c9-8-5-6-3-1-2-4-7(6)12(8,10)11/h1-5

Chemical Property of 2-Chlorobenzothiophene sulfone

Chemical Property:

• Vapor Pressure: 2.91E-06mmHg at 25°C
• Boiling Point: 400.6°Cat760mmHg
• Flash Point: 196.1°C
• Density: 1.56g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 199.9698783
• Heavy Atom Count: 12
• Complexity: 312

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(S2(=O)=O)Cl

Technology Process of 2-Chlorobenzothiophene sulfone

There total 3 articles about 2-Chlorobenzothiophene sulfone 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:

2,3-dichloro-2,3-dihydro-benzo[b]thiophene-1,1-dioxide (872827-66-2) → 1,1-dioxo-2-chlorobenzothiophene (10133-41-2)

Guidance literature:

With pyridine; benzene;

DOI:10.1021/ja01150a056

Reference yield:

benzothiophene-1,1-dioxide (825-44-5) → 1,1-dioxo-2-chlorobenzothiophene (10133-41-2)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrachloromethane; chlorine / Irradiation_.unter Bestrahlung mit UV-Licht

2: pyridine; benzene

With pyridine; tetrachloromethane; chlorine; benzene;

DOI:10.1021/ja01150a056

Reference yield:

pyridine (110-86-1) + 2,3-dichloro-2,3-dihydro-benzo[b]thiophene-1,1-dioxide (872827-66-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1,1-dioxo-2-chlorobenzothiophene (10133-41-2)

Guidance literature:

DOI:10.1021/ja01150a056

upstream raw materials:

pyridine

2,3-dichloro-2,3-dihydro-benzo[b]thiophene-1,1-dioxide

benzene

benzothiophene-1,1-dioxide

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