2-Chloroethylthiocarbamic acid, S-p-chlorophenyl ester

Base Information

• Chemical Name: 2-Chloroethylthiocarbamic acid, S-p-chlorophenyl ester
• CAS No.: 22039-90-3
• Molecular Formula: C₉H₉Cl₂NOS
• Molecular Weight: 250.149
• NSC Number: 160179
• DSSTox Substance ID: DTXSID80176510
• Nikkaji Number: J67.552K
• Mol file: 22039-90-3.mol

Synonyms:22039-90-3;2-Chloroethylthiocarbamic acid, S-p-chlorophenyl ester;NSC 160179;BRN 2525524;CARBAMIC ACID, (2-CHLOROETHYL)THIO-, S-p-CHLOROPHENYL ESTER;(2-Chloroethyl)-thiocarbamic acid p-chlorophenyl ester;DTXSID80176510;NSC160179;NSC-160179;LS-49152;N-(2-Chloroethyl)thiocarbamic acid S-(p-chlorophenyl) ester

Chemical Property of 2-Chloroethylthiocarbamic acid, S-p-chlorophenyl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.38g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 248.9781905
• Heavy Atom Count: 14
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1SC(=O)NCCCl)Cl

Technology Process of 2-Chloroethylthiocarbamic acid, S-p-chlorophenyl ester

There total 2 articles about 2-Chloroethylthiocarbamic acid, S-p-chlorophenyl ester 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:

1-(p-Chlorphenyl)thiocarbonylaziridin (22040-28-4) → N(2-Chlorethyl)-S-(p-chlorphenylthiocarbamat) (22039-90-3)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo00826a012

Reference yield:

ethyleneimine (151-56-4,9002-98-6) + chloro-thioformic acid (4-chloro-phenyl)ester (13606-10-5) → N(2-Chlorethyl)-S-(p-chlorphenylthiocarbamat) (22039-90-3)

Guidance literature:

In chloroform;

DOI:10.1021/jo00826a012

upstream raw materials:

ethyleneimine

chloro-thioformic acid (4-chloro-phenyl)ester

1-(p-Chlorphenyl)thiocarbonylaziridin