1-Bromo-4-[(2-chloroethyl)sulfanyl]benzene

Base Information

• Chemical Name: 1-Bromo-4-[(2-chloroethyl)sulfanyl]benzene
• CAS No.: 16181-14-9
• Molecular Formula: C8H8 Br Cl S
• Molecular Weight: 251.575
• NSC Number: 202560
• DSSTox Substance ID: DTXSID40308153
• Nikkaji Number: J1.516.197C
• Wikidata: Q82055867
• Mol file: 16181-14-9.mol

Synonyms:1-bromo-4-[(2-chloroethyl)sulfanyl]benzene;16181-14-9;1-bromo-4-(2-chloroethylsulfanyl)benzene;(4-Bromophenyl)(2-chloroethyl)sulfane;NSC202560;DTXSID40308153;STL220540;AKOS009114947;NSC-202560;CS-0261190;EN300-77535

Chemical Property of 1-Bromo-4-[(2-chloroethyl)sulfanyl]benzene

Chemical Property:

• Vapor Pressure: 0.00219mmHg at 25°C
• Boiling Point: 298.9°C at 760 mmHg
• Flash Point: 134.6°C
• Density: 1.55g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 249.92186
• Heavy Atom Count: 11
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1SCCCl)Br

Technology Process of 1-Bromo-4-[(2-chloroethyl)sulfanyl]benzene

There total 4 articles about 1-Bromo-4-[(2-chloroethyl)sulfanyl]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: 92.0%

para-bromobenzenethiol (106-53-6) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 1-bromo-4-(2-chloro-ethylsulfanyl)-benzene (16181-14-9)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; at 150 ℃; for 0.333333h; microwave irradiation;

DOI:10.1139/V06-151

Reference yield:

2-Chloroethyl phenyl sulfide (5535-49-9) → 1-bromo-4-(2-chloro-ethylsulfanyl)-benzene (16181-14-9) + chloroethyl phenyl sulfoxide (27998-60-3)

Guidance literature:

With dihydrogen peroxide; bromine; In dichloromethane; water; at 20 ℃; for 21h;

DOI:10.1021/jo0017178

Reference yield:

para-bromobenzenethiol (106-53-6) + 2-chloro-ethanol (107-07-3) → 1-bromo-4-(2-chloro-ethylsulfanyl)-benzene (16181-14-9)

Guidance literature:

With potassium hydroxide; Behandeln mit PCl₅;

DOI:10.1039/jr9330000046

upstream raw materials:

para-bromobenzenethiol

2-chloro-ethanol

2-Chloroethyl phenyl sulfide

1,2-dichloro-ethane

Downstream raw materials:

4'-(2-Ph₂PCH₂CH₂O)-4-(2-Ph₂PCH₂CH₂S)biphenyl

Dithioethylenglykoldiphenylenaminomethyl-(p-brom-phenyl)-diether

Dithioethylenglykoldiethylaminomethyl-(p-brom-phenyl)-diether

4-Brom-1-<2-dimethylaminomethylmercapto-aethylmercapto>-benzol

Refernces

• 1、 Bravo,Dordi,Fontana,Minisci. "Oxidation of organic sulfides by Br2 and H2O2. Electrophilic and free-radical processes". . p. 3232 - 3234. Retrieved 2007/10/03.