O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate

Base Information

• Chemical Name: O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate
• CAS No.: 10345-47-8
• Molecular Formula: C₉H₈Cl₃NOS
• Molecular Weight: 284.594
• NSC Number: 171481
• DSSTox Substance ID: DTXSID90305692
• Wikidata: Q82052414
• Mol file: 10345-47-8.mol

Synonyms:10345-47-8;O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate;NSC171481;SCHEMBL11666230;DTXSID90305692;NSC-171481

Chemical Property of O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate

Chemical Property:

• Vapor Pressure: 0.000139mmHg at 25°C
• Boiling Point: 333.2°C at 760 mmHg
• Flash Point: 155.3°C
• Density: 1.462g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 282.939218
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=S)OC1=CC(=C(C=C1Cl)Cl)Cl

Technology Process of O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate

There total 4 articles about O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate 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:

O-<2,4,5-Trichlor-phenyl>-S--dithiocarbonat (19384-29-3) → 2,4,5-Trichlorphenyldimethylthioncarbamat (10345-47-8)

Guidance literature:

(thermolysis);

DOI:10.1246/bcsj.34.254

Reference yield:

sodium 2,4,5-trichlorophenolate (136-32-3) + N,N-Dimethylthiocarbamoyl chloride (16420-13-6) → 2,4,5-Trichlorphenyldimethylthioncarbamat (10345-47-8)

Guidance literature:

DOI:10.1021/jo01350a023

Reference yield:

2,4,5-trichlorophenol (95-95-4) → 2,4,5-Trichlorphenyldimethylthioncarbamat (10345-47-8)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) aq. NaOH, CHCl₃, (ii) /BRN= 3569024/, H₂O

2: (thermolysis)

DOI:10.1246/bcsj.34.254

upstream raw materials:

O-<2,4,5-Trichlor-phenyl>-S--dithiocarbonat

sodium 2,4,5-trichlorophenolate

N,N-Dimethylthiocarbamoyl chloride

2,4,5-trichlorophenol

Downstream raw materials:

N,N-Dimethyl-thiocarbamidsaeure-S-<2,4,5-trichlorphenylester>