4-Chlorophenyl phenylcarbamodithioate

Base Information

• Chemical Name: 4-Chlorophenyl phenylcarbamodithioate
• CAS No.: 21167-85-1
• Molecular Formula: C13H10ClNS2
• Molecular Weight: 279.8082
• NSC Number: 30757
• DSSTox Substance ID: DTXSID10400830

Synonyms:21167-85-1;NSC30757;DTXSID10400830;4-Chlorophenyl phenylcarbamodithioate;NSC-30757

Chemical Property of 4-Chlorophenyl phenylcarbamodithioate

Chemical Property:

• Vapor Pressure: 9.19E-07mmHg at 25°C
• Boiling Point: 404.8°Cat760mmHg
• Flash Point: 198.6°C
• Density: 1.36g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 278.9943194
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)SC2=CC=C(C=C2)Cl

Technology Process of 4-Chlorophenyl phenylcarbamodithioate

There total 3 articles about 4-Chlorophenyl phenylcarbamodithioate 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%

phenyl isothiocyanate (103-72-0) + p-Chlorothiophenol (106-54-7) → 4-chlorophenyl phenylcarbamodithioate (21167-85-1)

Guidance literature:

With C₃₂H₄₄N₆P₂Se₂Ti₂; In toluene; at 25 ℃; for 1h; chemoselective reaction; Glovebox; Schlenk technique;

DOI:10.1021/acs.inorgchem.8b01766

Reference yield:

O-(4-nitrophenyl) S‐(4‐chlorophenyl) dithiocarbonate (27760-25-4) + aniline (62-53-3) → 4-chlorophenyl phenylcarbamodithioate (21167-85-1)

Guidance literature:

In ethanol; at 25 ℃; pH=10; pH-value; Concentration; Kinetics;

DOI:10.1002/poc.3818

Reference yield:

→ 4-chlorophenyl phenylcarbamodithioate (21167-85-1)

Guidance literature:

4-Chloranilin, PhNHCS2K, NaNO2, H⁺;

upstream raw materials:

phenyl isothiocyanate

p-Chlorothiophenol

O-(4-nitrophenyl) S‐(4‐chlorophenyl) dithiocarbonate

aniline

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