CARBANILIC ACID, m-CHLORODITHIO-, METHYL ESTER

Base Information

• Chemical Name: CARBANILIC ACID, m-CHLORODITHIO-, METHYL ESTER
• CAS No.: 877-81-6
• Molecular Formula: C8H8ClNS2
• Molecular Weight: 0
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID30236572
• Nikkaji Number: J33.944J
• Mol file: 877-81-6.mol

Synonyms:CARBANILIC ACID, m-CHLORODITHIO-, METHYL ESTER;877-81-6;m-Chlorodithiocarbanilic acid methyl ester;BRN 2803946;S-Methyl-N-(3-chlor-phenyl)-dithiocarbamat [German];S-Methyl-N-(3-chlor-phenyl)-dithiocarbamat;DTXSID30236572;AKOS000269311;LS-51000;3-Chlorophenylcarbamodithioic acid methyl ester;Carbamodithioic acid, (3-chlorophenyl)-, methyl ester

Chemical Property of CARBANILIC ACID, m-CHLORODITHIO-, METHYL ESTER

Chemical Property:

• Vapor Pressure: 0.000789mmHg at 25°C
• Boiling Point: 306.1°C at 760 mmHg
• Flash Point: 138.9°C
• PSA: 76.46000
• Density: 1.393g/cm³
• LogP: 3.62030
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 216.9786693
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=S)NC1=CC(=CC=C1)Cl

Technology Process of CARBANILIC ACID, m-CHLORODITHIO-, METHYL ESTER

There total 3 articles about CARBANILIC ACID, m-CHLORODITHIO-, METHYL 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:

3-chloro-aniline (108-42-9) → (3-Chloro-phenyl)-dithiocarbamic acid methyl ester (877-81-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / dimethyl sulfoxide; water / 20 °C

2: dimethyl sulfoxide; water / 5 h / Cooling

With sodium hydroxide; In water; dimethyl sulfoxide;

DOI:10.1002/ardp.201500115

Reference yield:

(3-chloro-phenyl)-dithiocarbamic acid; sodium salt + dimethyl sulfate (77-78-1) → (3-Chloro-phenyl)-dithiocarbamic acid methyl ester (877-81-6)

Guidance literature:

In water; dimethyl sulfoxide; for 5h; Cooling;

DOI:10.1002/ardp.201500115

Reference yield:

→ (3-Chloro-phenyl)-dithiocarbamic acid methyl ester (877-81-6)

Guidance literature:

m-Cl-Phenylamin, CS2, NEt3, MeI;

upstream raw materials:

dimethyl sulfate

3-chloro-aniline

Downstream raw materials:

N-(3-chlorophenyl)-1,3-benzoxazol-2-amine

N-(3-chlorophenyl)benzo[d]thiazol-2-amine

4-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

3?(3?chlorophenyl)?2?thioxo?2,3?dihydroquinazolin?4(1H)?one