s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate

Base Information

• Chemical Name: s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate
• CAS No.: 6310-31-2
• Molecular Formula: C13H8 Cl2 O S
• Molecular Weight: 283.178
• NSC Number: 41561,35969
• DSSTox Substance ID: DTXSID70284153
• Nikkaji Number: J624.020H
• Wikidata: Q82018986
• Mol file: 6310-31-2.mol

Synonyms:6310-31-2;s-(4-chlorophenyl) 4-chlorobenzenecarbothioate;NSC35969;DTXSID70284153;NSC41561;NSC-35969;NSC-41561;4-Chloro-thiobenzoic acid S-(4-chloro-phenyl) ester

Chemical Property of s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate

Chemical Property:

• Vapor Pressure: 3.1E-06mmHg at 25°C
• Boiling Point: 388.3°Cat760mmHg
• Flash Point: 188.6°C
• Density: 1.41g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 281.9672914
• Heavy Atom Count: 17
• Complexity: 256

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=C1C(=O)SC2=CC=C(C=C2)Cl)Cl

Technology Process of s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate

There total 7 articles about s-(4-Chlorophenyl) 4-chlorobenzenecarbothioate 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: 89.0%

4,4'-dichlorodiphenyl disulfide (1142-19-4) + 4-chlorobenzaldehyde (104-88-1) → S-(p-chlorophenyl) p-chlorobenzenecarbothioate (6310-31-2)

Guidance literature:

With di-tert-butyl peroxide; In neat (no solvent); at 120 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c4gc00025k

Reference yield: 89.0%

1-Chloro-4-iodobenzene (637-87-6) + 4-chlorobenzaldehyde (104-88-1) → S-(p-chlorophenyl) p-chlorobenzenecarbothioate (6310-31-2)

Guidance literature:

With copper(l) iodide; tetraethylammonium bromide; sulfur; In N,N-dimethyl-formamide; at 80 ℃; for 10h;

Reference yield: 88.0%

4-chlorobenzaldehyde (104-88-1) + p-Chlorothiophenol (106-54-7) → S-(p-chlorophenyl) p-chlorobenzenecarbothioate (6310-31-2)

Guidance literature:

With dipotassium peroxodisulfate; tetraethylammonium bromide; In 1,2-dichloro-ethane; at 90 ℃; for 40h; Inert atmosphere;

DOI:10.1002/adsc.201300584

upstream raw materials:

4-chloro-benzoyl chloride

p-Chlorothiophenol

4,4'-dichlorodiphenyl disulfide

4-chlorobenzaldehyde

Downstream raw materials:

4-chloro-N-(4-tolyl)benzamide

4,4'-dichlorobenzanilide

4-chloro-N-(4-methoxyphenyl)benzamide

4-chlorobenzanilide