Pentachlorothioanisole

Base Information

• Chemical Name: Pentachlorothioanisole
• CAS No.: 1825-19-0
• Molecular Formula: C7H3 Cl5 S
• Molecular Weight: 296.432
• Hs Code.: 2930909090
• European Community (EC) Number: 217-363-8
• UNII: 9FRH35YH8R
• DSSTox Substance ID: DTXSID3042263
• Nikkaji Number: J199.644D
• Wikidata: Q27272502
• ChEMBL ID: CHEMBL3185325
• Mol file: 1825-19-0.mol

Synonyms:methylthiopentachlorobenzene;PCTA compound;pentachloromethylthiobenzene;pentachlorothioanisole

Chemical Property of Pentachlorothioanisole

Chemical Property:

• Vapor Pressure: 0.000673mmHg at 25°C
• Melting Point: 95 °C
• Boiling Point: 318.5°Cat760mmHg
• Flash Point: 139.6°C
• PSA: 25.30000
• Density: 1.68g/cm³
• LogP: 5.67550
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Sparingly), Dichloromethane (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 295.836860
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

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

Pentachlorothioanisole ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: CSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
• Uses: Pentachlorothioanisole is used in the preparation of arenethiols and arenethiolates as seen in agrochemicals or fungicides.

Technology Process of Pentachlorothioanisole

There total 3 articles about Pentachlorothioanisole 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:

pentachlorothiophenol (133-49-3) → pentachlorothioanisole (1825-19-0)

Guidance literature:

With sodium hydroxide; dimethyl sulfate;

DOI:10.1021/jo01084a021

Reference yield:

pentachlorophenylsulphenyl chloride (19815-92-0) + methylcobaloxime → pentachlorothioanisole (1825-19-0)

Guidance literature:

In dichloromethane; at 0 ℃; Yield given; Irradiation;

DOI:10.1016/S0022-328X(98)00689-5

Reference yield:

→ pentachlorothioanisole (1825-19-0)

Guidance literature:

Pentachlornitrobenzol, Na2S, CH3J;

DOI:10.1021/jf60166a041

upstream raw materials:

pentachlorothiophenol

pentachlorophenylsulphenyl chloride

Downstream raw materials:

1,2,4,5-tetrachloro-3-(2-chloro-ethylsulfanyl)-6-methylsulfanyl-benzene

1,2,3,4,5-pentachloro-6-thiocyanatobenzene

pentachlorophenyl methyl sulfoxide

Pentachloro[(chloromethyl)thio]benzene

Refernces

• 1、 Gupta,Dixit, Vandana,Das, Indira. "Co-C bond cleavage in the reactions of alkyl, benzyl and heteroaromaticmethyl cobaloximes with arene sulfenyl chloride: Homolytic and heterolytic pathways". . p. 49 - 58. Retrieved 2007/10/03.