(4-Bromophenyl)(4-chlorophenyl)sulfane

Base Information

• Chemical Name: (4-Bromophenyl)(4-chlorophenyl)sulfane
• CAS No.: 24535-57-7
• Molecular Formula: C12H8 Br Cl S
• Molecular Weight: 299.619
• NSC Number: 99889
• DSSTox Substance ID: DTXSID70295148
• Nikkaji Number: J2.342.147J
• Wikidata: Q82034905
• Mol file: 24535-57-7.mol

Synonyms:(4-Bromophenyl)(4-chlorophenyl)sulfane;24535-57-7;1-bromo-4-(4-chlorophenyl)sulfanylbenzene;1-bromo-4-[(4-chlorophenyl)sulfanyl]benzene;NSC99889;1-bromo-4-(4-chlorophenylsulfanyl)-benzene;NCIOpen2_007221;SCHEMBL8142821;DTXSID70295148;BXTYODSDEPRLLJ-UHFFFAOYSA-N;MFCD22484518;NSC-99889;AKOS025395726;I10955;A877881;1-[(4-BROMOPHENYL)SULFANYL]-4-CHLOROBENZENE

Chemical Property of (4-Bromophenyl)(4-chlorophenyl)sulfane

Chemical Property:

• Vapor Pressure: 4.1E-06mmHg at 25°C
• Boiling Point: 395.7°C at 760 mmHg
• Flash Point: 193.1°C
• PSA: 25.30000
• Density: 1.58g/cm³
• LogP: 5.25370
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 297.92186
• Heavy Atom Count: 15
• Complexity: 184

Purity/Quality:

98.5% ^*data from raw suppliers

(4-Bromophenyl)(4-chlorophenyl)sulfane 95+% ^*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)Cl

Technology Process of (4-Bromophenyl)(4-chlorophenyl)sulfane

There total 14 articles about (4-Bromophenyl)(4-chlorophenyl)sulfane 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: 98.0%

1,4-bromoiodobenzene (589-87-7) + p-Chlorothiophenol (106-54-7) → 1-bromo-4-(4-chlorophenylsulfanyl)-benzene (24535-57-7)

Guidance literature:

With potassium hydroxide; copper(l) iodide; sarcosine; In 1,4-dioxane; at 100 ℃; for 24h;

DOI:10.1055/s-2004-825584

Reference yield: 90.0%

p-chlorobenzenediazonium tetrafluoroborate (673-41-6) + para-bromobenzenethiol (106-53-6) → 1-bromo-4-(4-chlorophenylsulfanyl)-benzene (24535-57-7)

Guidance literature:

With epi-Cercosporin; In dimethyl sulfoxide; at 20 ℃; Irradiation;

DOI:10.1002/ejoc.201901444

Reference yield: 81.0%

dimethyl-dithiocarbamic acid 4-chloro-phenyl ester (16913-61-4) + 4-bromo-aniline (106-40-1) → 1-bromo-4-(4-chlorophenylsulfanyl)-benzene (24535-57-7)

Guidance literature:

4-bromo-aniline; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃; Inert atmosphere;

With sodium tetrafluoroborate; In water; at 0 - 5 ℃; for 0.166667h; Inert atmosphere;

dimethyl-dithiocarbamic acid 4-chloro-phenyl ester; With [2,2]bipyridinyl; copper(l) iodide; zinc; In N,N-dimethyl-formamide; at 120 ℃; for 5h; Inert atmosphere;

DOI:10.1039/c9ob01976f

upstream raw materials:

(4-bromophenyl)(4-aminophenyl)thioether

bromochlorobenzene

hydrogenchloride

aluminium bromide

Downstream raw materials:

1-(4-chlorophenylsulfonyl)-4-bromobenzene

bromochlorobenzene

1.4-dibromobenzene

{4-[4-(4-chloro-phenylsulfanyl)-phenyl]-6-fluoro-3-methyl-naphthalen-2-yl}-acetic acid methyl ester

Refernces

• 1、 Arora, Gunjan,Gaur, Rashmi,Gupta, Radhika,Rana, Pooja,Sharma, Rakesh Kumar,Yadav, Manavi,Yadav, Priya. "A template free protocol for fabrication of a Ni(ii)-loaded magnetically separable nanoreactor scaffold for confined synthesis of unsymmetrical diaryl sulfides in water". . p. 19390 - 19396. Retrieved 2020/06/04.
• 2、 Li, Jia,Bao, Wenhao,Zhang, Yan,Rao, Yijian. "Metal-Free Cercosporin-Photocatalyzed C-S Coupling for the Selective Synthesis of Aryl Sulfides under Mild Conditions". supporting information. p. 7175 - 7178. Retrieved 2019/11/16.