Bis(2-chloroethyl) sulfone

Base Information

• Chemical Name: Bis(2-chloroethyl) sulfone
• CAS No.: 471-03-4
• Molecular Formula: C4H8 Cl2 O2 S
• Molecular Weight: 191.078
• European Community (EC) Number: 623-808-0
• NSC Number: 26284
• UNII: DZ4S6T48FY
• DSSTox Substance ID: DTXSID50197035
• Nikkaji Number: J3.074K
• Wikidata: Q83070015
• Metabolomics Workbench ID: 177673
• Mol file: 471-03-4.mol

Synonyms:Bis(2-chloroethyl) sulfone;Mustard sulfone;Yperite sulfone;Mustard gas sulfone;H sulfone;471-03-4;Bis(2-chloroethyl)sulfone;Sulfone, bis(2-chloroethyl);Bis(beta-chloroethyl)sulfone;1-chloro-2-(2-chloroethylsulfonyl)ethane;Bis(beta-chloroethyl) sulfone;NSC 26284;Ethane, 1,1'-sulfonylbis(2-chloro-;Bis(.beta.-chloroethyl) sulfone;1-Chloro-2-(2-chloroethanesulfonyl)ethane;BRN 1759251;DZ4S6T48FY;AI3-16181;NSC-26284;3-01-00-01388 (Beilstein Handbook Reference);chloroethylsulfone;UNII-DZ4S6T48FY;WLN: G2SW2G;SCHEMBL179830;DTXSID50197035;Ethane,1'-sulfonylbis[2-chloro-;NSC26284;AKOS006283799;1,1'-SULFONYLBIS(2-CHLOROETHANE);LS-147965;CS-0256520;1-Chloro-2-[(2-chloroethyl)sulfonyl]ethane #;EN300-6494449

Chemical Property of Bis(2-chloroethyl) sulfone

Chemical Property:

• Vapor Pressure: 0.000166mmHg at 25°C
• Melting Point: 56°C
• Boiling Point: 340.8°C at 760 mmHg
• Flash Point: 159.9°C
• PSA: 42.52000
• Density: 1.38g/cm³
• LogP: 1.95960
• Water Solubility.: 6g/L(20 oC)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 189.9622061
• Heavy Atom Count: 9
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

BIS(2-CHLOROETHYL)SULFONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCl)S(=O)(=O)CCCl

Technology Process of Bis(2-chloroethyl) sulfone

There total 3 articles about Bis(2-chloroethyl) 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: 65.0%

bis (2-chloroethyl) sulphide (505-60-2) + N,N'-dichlorobis(2,4,6-trichlorodiphenyl)urea (2899-02-7,99515-28-3) → bis(2-chloroethyl)sulfone (471-03-4) + bis(1,2-dichloroethyl) sulfoxide (236115-46-1) + bis(2,4,6-trichlorodiphenyl)urea (20632-35-3)

Guidance literature:

In water; acetonitrile;

DOI:10.1021/jo990783a

Reference yield:

bis(2-chloroethyl)sulfoxide (5819-08-9) → divinyl sulfoxide (1115-15-7) + Divinyl sulfone (77-77-0) + 1-(2-Chloroethylsulfinyl)ethene (40709-82-8) + bis(2-chloroethyl)sulfone (471-03-4)

Guidance literature:

Prod.5:<2-Chlor-aethyl>-vinyl-sulfon;

DOI:10.1111/j.1750-3639.2000.tb00253.x

Reference yield:

bis(2-chloroethyl)sulfoxide (5819-08-9) + N,N'-dichlorobis(2,4,6-trichlorodiphenyl)urea (2899-02-7,99515-28-3) → bis(2-chloroethyl)sulfone (471-03-4) + bis(1,2-dichloroethyl) sulfoxide (236115-46-1) + bis(2,4,6-trichlorodiphenyl)urea (20632-35-3)

Guidance literature:

In water; acetonitrile;

DOI:10.1021/jo990783a

upstream raw materials:

bis (2-chloroethyl) sulphide

N,N'-dichlorobis(2,4,6-trichlorodiphenyl)urea

bis(2-chloroethyl)sulfoxide

Downstream raw materials:

bis-(2-p-tolyloxy-ethyl)-sulfone

bis-(2-butylsulfanyl-ethyl) sulfone

Divinyl sulfone

1-(2-Chloroethylsulfonyl)ethene

Refernces