1,2-Dichloro-4-(methylsulfonyl)benzene

Base Information

• Chemical Name: 1,2-Dichloro-4-(methylsulfonyl)benzene
• CAS No.: 38452-47-0
• Molecular Formula: C7H6Cl2O2S
• Molecular Weight: 225.095
• Hs Code.: 2904909090
• European Community (EC) Number: 253-942-1
• UNII: B8WWL2UWJ7
• DSSTox Substance ID: DTXSID5068102
• Nikkaji Number: J294.665C
• Wikidata: Q81994809
• Mol file: 38452-47-0.mol

Synonyms:3,4-DCPSO2Me;3,4-dichlorophenyl methyl sulfone

Chemical Property of 1,2-Dichloro-4-(methylsulfonyl)benzene

Chemical Property:

• Vapor Pressure: 2.23E-05mmHg at 25°C
• Melting Point: 109-110oC
• Boiling Point: 371.3°C at 760 mmHg
• Flash Point: 178.3°C
• PSA: 42.52000
• Density: 1.451g/cm³
• LogP: 3.47770
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 223.9465560
• Heavy Atom Count: 12
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

1,2-Dichloro-4-(methylsulfonyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2-Dichloro-4-(methylsulfonyl)benzene

There total 5 articles about 1,2-Dichloro-4-(methylsulfonyl)benzene 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: 93.0%

methyl 3,4-dichlorophenyl sulfide (17733-23-2) → methyl-(3,4-dichlorophenyl)sulphone (38452-47-0)

Guidance literature:

With dihydrogen peroxide; In water; at 75 ℃; for 1.75h;

DOI:10.1039/c2gc36073j

Reference yield:

methanesulfonyl chloride (124-63-0) + 1,2-dichloro-benzene (95-50-1) → methyl-(3,4-dichlorophenyl)sulphone (38452-47-0) + 2,3-dichlorophenyl methyl sulfone (106418-92-2)

Guidance literature:

With trifluorormethanesulfonic acid; bismuth(III) chloride; at 130 ℃; for 168h;

DOI:10.1002/ejoc.200400369

Reference yield:

1,2-dichloro-benzene (95-50-1) + Methanesulfonic anhydride (7143-01-3) → methyl-(3,4-dichlorophenyl)sulphone (38452-47-0)

Guidance literature:

With trifluorormethanesulfonic acid; tris(trifluoromethanesulfonyloxy)boron; at 20 ℃; for 4h;

upstream raw materials:

methyl 3,4-dichlorophenyl sulfide

methanesulfonyl chloride

1,2-dichloro-benzene

Methanesulfonic anhydride

Downstream raw materials:

2-chloro-4-methanesulfonyl-phenol

2-chloro-4-(methylsulfonyl)aniline

methyl-pentachlorophenyl sulfone

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