Sulcotrione

Base Information

Chemical Name:Sulcotrione
CAS No.:99105-77-8
Deprecated CAS:123174-48-1,114680-61-4
Molecular Formula:C14H13ClO5S
Molecular Weight:328.773
Hs Code.:29309090
European Community (EC) Number:619-394-6,680-283-0
UNII:5UEH9SXW7V
DSSTox Substance ID:DTXSID9058230
Nikkaji Number:J660.087E
Wikidata:Q22808904
Metabolomics Workbench ID:155893
ChEMBL ID:CHEMBL2252422
Mol file:99105-77-8.mol

Synonyms:2-(2-chloro-4-methanesulfonylbenzoyl)-1,3-cyclohexanedione;SC 0051;SC-0051;sulcotrione

Suppliers and Price of Sulcotrione

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

TRC
Sulcotrione
1g
$ 185.00

Sigma-Aldrich
Sulcotrione PESTANAL
100mg
$ 140.00

Crysdot
2-(2-Chloro-4-(methylsulfonyl)benzoyl)cyclohexane-1,3-dione 97%
1g
$ 772.00

Chemenu
2-(2-chloro-4-(methylsulfonyl)benzoyl)cyclohexane-1,3-dione 97%
1g
$ 825.00

American Custom Chemicals Corporation
SULCOTRIONE 95.00%
25MG
$ 885.31

Alichem
2-(2-Chloro-4-(methylsulfonyl)benzoyl)cyclohexane-1,3-dione
1g
$ 970.20

AK Scientific
Sulcotrione
50mg
$ 131.00

Total 72 raw suppliers

Chemical Property of Sulcotrione

Chemical Property:

Vapor Pressure:3.34E-13mmHg at 25°C
Melting Point:139oC
Refractive Index:1.571
Boiling Point:574.5 °C at 760 mmHg
PKA:3.22±0.50(Predicted)
Flash Point:301.2 °C
PSA：93.73000
Density:1.428 g/cm³
LogP:2.94530
Storage Temp.:Inert atmosphere,Room Temperature
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:328.0172224
Heavy Atom Count:21
Complexity:546

Purity/Quality:

99% ^*data from raw suppliers

Sulcotrione ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi,N,Xn
Statements: 43-50/53-48/22-63
Safety Statements: 36/37-61-60-22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl

Technology Process of Sulcotrione

There total 4 articles about Sulcotrione 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:

: 114911-83-0
3-(2-chloro-4-methanesulfonylbenzoyloxy)cyclohex-2-enone

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 99105-77-8,114680-61-4,123174-48-1
sulcotrione

Guidance literature:: With triethylamine; In acetonitrile;

Reference yield:

: 504-02-9
1,3-cylohexanedione

: 106904-10-3
2-chloro-4-(methylsulphonyl)benzoyl chloride

: 99105-77-8,114680-61-4,123174-48-1
sulcotrione

Guidance literature:: 1,3-cylohexanedione; 2-chloro-4-(methylsulphonyl)benzoyl chloride; With triethylamine; In toluene;

With sodium hydroxide; In water; toluene; at 45 ℃; for 0.5h;

With pyridine; hydrogenchloride; In water; at 12 ℃; pH=2.7;

Reference yield:

: 53250-83-2
2-chloro-4-(methanesulfonyl)benzoic acid

: 504-02-9
1,3-cylohexanedione

: 584-08-7
potassium carbonate

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 99105-77-8,114680-61-4,123174-48-1
sulcotrione

Guidance literature:: With hydrogenchloride; thionyl chloride; triethylamine; In 1,4-dioxane; N-methyl-acetamide; ethyl acetate; acetonitrile;