2-CHLORO-5-(METHYLSULFONYL)BENZOTRIFLUORIDE

Base Information

• Chemical Name: 2-CHLORO-5-(METHYLSULFONYL)BENZOTRIFLUORIDE
• CAS No.: 4163-81-9
• Molecular Formula: C8H6 Cl F3 O2 S
• Molecular Weight: 258.649
• Hs Code.: 2930909899
• Mol file: 4163-81-9.mol

Synonyms:Sulfone, 4-chloro-a,a,a-trifluoro-m-tolyl methyl (7CI,8CI)

Chemical Property of 2-CHLORO-5-(METHYLSULFONYL)BENZOTRIFLUORIDE

Chemical Property:

• Vapor Pressure: 57.1mmHg at 25°C
• Boiling Point: 90.1oC at 760 mmHg
• Flash Point: 8.3oC
• PSA: 42.52000
• Density: 2.332g/cm3
• LogP: 3.84310
• Storage Temp.: 2-8°C

Purity/Quality:

98%Min ^*data from raw suppliers

1-Chloro-4-(methylsulfonyl)-2-(trifluoromethyl)benzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-CHLORO-5-(METHYLSULFONYL)BENZOTRIFLUORIDE

There total 2 articles about 2-CHLORO-5-(METHYLSULFONYL)BENZOTRIFLUORIDE 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:

Monothiophosphorsaeure-O,O-dimethylester-S-<4-chlor-3-trifluormethyl-phenylester> (4184-59-2) → 2-chloro-5-methansulfonylbenzotrifluoride (4163-81-9)

Guidance literature:

Multistep reaction; (i) (thermolysis), (ii) aq. H₂O₂, AcOH, Ac₂O;

DOI:10.1016/S0040-4020(01)98339-5

Reference yield:

→ 2-chloro-5-methansulfonylbenzotrifluoride (4163-81-9)

Guidance literature:

aus d. Sulfinsaeure durch Alkyl.;

Reference yield: 10.0%

ethyl 4-hydroxy-2-methyl-2H-indazole-6-carboxylate (1245215-57-9) + 2-chloro-5-methansulfonylbenzotrifluoride (4163-81-9) → ethyl 2-methyl-4-[4-(methylsulfonyl)-2-(trifluoromethyl)phenoxy]-2H-indazole-6-carboxylate (1245216-92-5)

Guidance literature:

With copper(l) iodide; caesium carbonate; In N,N-dimethyl-formamide; at 90 ℃;

upstream raw materials:

Monothiophosphorsaeure-O,O-dimethylester-S-<4-chlor-3-trifluormethyl-phenylester>

Downstream raw materials:

ethyl 2-methyl-4-[4-(methylsulfonyl)-2-(trifluoromethyl)phenoxy]-2H-indazole-6-carboxylate