2,4,5-Trichlorothioanisole

Base Information

Chemical Name:2,4,5-Trichlorothioanisole
CAS No.:4163-78-4
Molecular Formula:C7H5Cl3S
Molecular Weight:227.542
Hs Code.:2930909090
European Community (EC) Number:224-009-6
UNII:7A1G9VO987
DSSTox Substance ID:DTXSID50194443
Nikkaji Number:J151.098C
Wikidata:Q27266795
Mol file:4163-78-4.mol

Synonyms:2,4,5-Trichlorothioanisole;4163-78-4;Methyl 2,4,5-Trichlorophenyl Sulfide;1,2,4-trichloro-5-methylsulfanylbenzene;methyl(2,4,5-trichlorophenyl)sulfane;UNII-7A1G9VO987;Benzene, 1,2,4-trichloro-5-(methylthio)-;7A1G9VO987;EINECS 224-009-6;Methyl 2,4,5-trichlorophenyl sulphide;Sulfide, methyl 2,4,5-trichlorophenyl;1,2,4-Trichloro-5-(methylsulfanyl)benzene;C7H5Cl3S;C7-H5-Cl3-S;SCHEMBL15362374;DTXSID50194443;MFCD00044426;2,4,5-trichlorophenyl methyl sulfide;AKOS024325184;1,2,5-Trichloro-4-(methylthio)benzene;CS-0361960;FT-0635166;T0729;1,2,4-Trichloro-5-(methylsulfanyl)benzene #;D92384;4-CYANO-3,5-DIFLUOROPHENYL4-ETHYL-BENZOATE;Q27266795

Suppliers and Price of 2,4,5-Trichlorothioanisole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

AK Scientific
2,4,5-Trichlorothioanisole
10g
$ 322.00

American Custom Chemicals Corporation
2,4,5-TRICHLOROTHIOANISOLE 95.00%
5MG
$ 501.14

Sigma-Aldrich
METHYL 2,4,5-TRICHLOROPHENYL SULFIDE Aldrich
1ea
$ 144.00

TCI Chemical
2,4,5-Trichlorothioanisole >99.0%(GC)
10g
$ 194.00

Total 12 raw suppliers

Chemical Property of 2,4,5-Trichlorothioanisole

Chemical Property:

Vapor Pressure:0.0101mmHg at 25°C
Melting Point:60oC
Boiling Point:272.6°Cat760mmHg
Flash Point:115.9°C
PSA：25.30000
Density:1.47g/cm³
LogP:4.36870
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:225.917754
Heavy Atom Count:11
Complexity:131

Purity/Quality:

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

2,4,5-Trichlorothioanisole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: S24/25:Avoid contact with skin and eyes.;

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CSC1=CC(=C(C=C1Cl)Cl)Cl

Technology Process of 2,4,5-Trichlorothioanisole

There total 4 articles about 2,4,5-Trichlorothioanisole 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: 86.0%

: 62726-90-3
2,4,5-trichlorobenzenesulfenyl chloride

: 3808-87-5
2,4,5-trichlorophenyl disulfide

: 4163-78-4
2,4,5-trichloromethylthiobenzene

Guidance literature:: With tetramethylstannane; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 25 ℃; for 4h;
DOI:10.1021/jo951378w

Reference yield:

: 3808-87-5
2,4,5-trichlorophenyl disulfide

: 4163-78-4
2,4,5-trichloromethylthiobenzene

Guidance literature:: Multi-step reaction with 2 steps

1: 81 percent / chlorine, iodine / CCl₄

2: tetramethylstannane / tetrakis(triphenylphosphine)palladium⁽⁰⁾ / tetrahydrofuran / 4 h / 25 °C

With iodine; tetramethylstannane; chlorine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; tetrachloromethane;
DOI:10.1021/jo951378w

Reference yield:

: 62726-90-3
2,4,5-trichlorobenzenesulfenyl chloride

: 594-27-4
tetramethylstannane

: 3808-87-5
2,4,5-trichlorophenyl disulfide

: 4163-78-4
2,4,5-trichloromethylthiobenzene

Guidance literature:: tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 25 ℃; for 4h; Yields of byproduct given;
DOI:10.1021/jo951378w