N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride

Base Information

• Chemical Name: N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride
• CAS No.: 10218-95-8
• Molecular Formula: C8H7 Cl2 N S
• Molecular Weight: 220.12
• Hs Code.: 2930909090
• European Community (EC) Number: 670-606-3
• DSSTox Substance ID: DTXSID50374041
• Wikidata: Q82162499
• Mol file: 10218-95-8.mol

Synonyms:10218-95-8;N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride;N-(4-chlorophenyl)-N-methylcarbamothioyl chloride;N-(4-chlorophenyl)-n-methylthiocarbamoylchloride;ST51041513;Carbamothioic chloride,(4-chlorophenyl)methyl- (9CI);SCHEMBL11757635;DTXSID50374041;AKOS015912358

Chemical Property of N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride

Chemical Property:

• Vapor Pressure: 0.00161mmHg at 25°C
• Melting Point: 76 °C
• Boiling Point: 294.6°C at 760 mmHg
• PKA: -2.42±0.50(Predicted)
• Flash Point: 132°C
• PSA: 35.33000
• Density: 1.413g/cm³
• LogP: 3.29990
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 218.9676258
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(4-CHLOROPHENYL)-N-METHYLTHIOCARBAMOYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=C(C=C1)Cl)C(=S)Cl

Technology Process of N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride

There total 2 articles about N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride 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:

thiophosgene (463-71-8) + N-methyl(p-chloroaniline) (932-96-7) → 4-chlorophenyl(methyl)carbamothioic chloride (10218-95-8)

Guidance literature:

With triethylamine; Inert atmosphere;

DOI:10.1021/ol5002522

Reference yield:

→ 4-chlorophenyl(methyl)carbamothioic chloride (10218-95-8)

Guidance literature:

4-Chlor-N-methyl-anilin, Thiophosgen, Ae., 0grad-4grad;

Reference yield: 76.0%

(E/Z)-2-buten-1-ol (6117-91-5,542-72-3) + 4-chlorophenyl(methyl)carbamothioic chloride (10218-95-8) → O-but-2-enyl 4-chlorophenyl(methyl)carbamothioate

Guidance literature:

With sodium hydride; sodium iodide; In tetrahydrofuran; Inert atmosphere;

DOI:10.1021/ol5002522

upstream raw materials:

thiophosgene

N-methyl(p-chloroaniline)

Downstream raw materials:

S-hex-1-en-3-yl (4-chlorophenyl)(methyl)carbamothioate

(R)-S-but-3-en-2-yl 4-chlorophenyl(methyl)carbamothioate

(R)-S-hex-1-en-3-yl (4-chlorophenyl)(methyl)carbamothioate

S-2-(4-chlorophenyl)but-3-en-2-yl methylcarbamothioate