Bis(4-bromophenyl) sulphide

Base Information

• Chemical Name: Bis(4-bromophenyl) sulphide
• CAS No.: 3393-78-0
• Molecular Formula: C12H8Br2S
• Molecular Weight: 344.07
• Hs Code.: 2930909090
• European Community (EC) Number: 222-240-7
• DSSTox Substance ID: DTXSID40871019
• Nikkaji Number: J49.526C
• Mol file: 3393-78-0.mol

Synonyms:3393-78-0;Bis(4-bromophenyl) sulphide;Bis(4-bromophenyl) Sulfide;bis(4-bromophenyl)sulfane;Bis(p-bromophenyl)sulfide;1-bromo-4-(4-bromophenyl)sulfanylbenzene;Sulfide, bis(p-bromophenyl);4,4'-Dibromodiphenyl sulfide;BRN 2212559;4,4'-Di(bromophenyl sulfide);Benzene, 1,1'-thiobis(4-bromo-;Benzene, 1,1'-thiobis[4-bromo-;EINECS 222-240-7;Di(p-bromophenyl) sulfide;Bis(4-Bromophenyl)sulfide;bis(p-bromophenyl) sulfide;Bis(4-bromophenyl)sulphide;C12H8Br2S;4,4'-dibromodiphenylthioether;SCHEMBL4123832;C12-H8-Br2-S;DTXSID40871019;MFCD00623633;AKOS000673086;BS-51129;Benzene, 1,1'-thiobis(4-bromo- (9CI);LS-147884;B4435;CS-0199096;T70792;A851259

Chemical Property of Bis(4-bromophenyl) sulphide

Chemical Property:

• Vapor Pressure: 2.39E-06mmHg at 25°C
• Melting Point: 115℃
• Refractive Index: 1.745
• Boiling Point: 411.3 °C at 760 mmHg
• Flash Point: 202.5 °C
• PSA: 25.30000
• Density: 1.8 g/cm³
• LogP: 5.36280
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 343.86930
• Heavy Atom Count: 15
• Complexity: 162

Purity/Quality:

98% ^*data from raw suppliers

Bis(4-bromophenyl) Sulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1SC2=CC=C(C=C2)Br)Br
• Uses: Bis(4-bromophenyl) Sulfide is a useful chemical in organic synthesis / research.

Technology Process of Bis(4-bromophenyl) sulphide

There total 38 articles about Bis(4-bromophenyl) sulphide 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%

bis(4-bromophenyl)sulfoxide (1774-37-4) → 4,4'-dibromodiphenyl sulfide (3393-78-0)

Guidance literature:

With chloro-trimethyl-silane; sodium bromide; In acetonitrile; 1) r.t., 20 min, 2) 40 deg C, 30 min;

Reference yield: 95.0%

1,4-bromoiodobenzene (589-87-7) + para-bromobenzenethiol (106-53-6) → 4,4'-dibromodiphenyl sulfide (3393-78-0)

Guidance literature:

With Cu/Al₂O₃; potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃;

DOI:10.1002/adsc.200900358

Reference yield: 90.0%

para-bromobenzenethiol (106-53-6) → 4,4'-dibromodiphenyl sulfide (3393-78-0)

Guidance literature:

With melamine-(H₂SO₄)3; C₃H₆N₆*3HNO₃; In neat (no solvent);

DOI:10.1080/17415993.2015.1074688

upstream raw materials:

4,4'-thiobisaniline

diphenyl sulfide

1,1'-sulfinylbisbenzene

4-bromo-aniline

Downstream raw materials:

bis(4-bromophenyl)sulfoxide

bis<4-(methylthio)phenyl> sulfide

4,4'-bis(phenylthio)diphenylthioether

bis(4-(phenylethynyl)phenyl)sulfane

Refernces

• 1、 Kong, Zhenshuo,Pan, Chao,Li, Ming,Wen, Lirong,Guo, Weisi. "Scalable electrochemical reduction of sulfoxides to sulfides". supporting information. p. 2773 - 2777. Retrieved 2021/04/21.
• 2、 Yao, Kaiyue,Yuan, Ziliang,Jin, Shiwei,Chi, Quan,Liu, Bing,Huang, Renjie,Zhang, Zehui. "Efficient hydrodeoxygenation of sulfoxides into sulfides under mild conditions using heterogeneous cobalt-molybdenum catalysts". supporting information. p. 39 - 43. Retrieved 2020/01/13.