2-Trifluoromethylbenzylsulfonyl chloride

Base Information

• Chemical Name: 2-Trifluoromethylbenzylsulfonyl chloride
• CAS No.: 85952-32-5
• Molecular Formula: C8H6ClF3O2S
• Molecular Weight: 258.649
• Hs Code.: 2904909090
• European Community (EC) Number: 674-540-6
• DSSTox Substance ID: DTXSID90375779
• Wikidata: Q72511812
• Mol file: 85952-32-5.mol

Synonyms:85952-32-5;2-Trifluoromethylbenzylsulfonyl chloride;(2-(Trifluoromethyl)phenyl)methanesulfonyl chloride;[2-(trifluoromethyl)phenyl]methanesulfonyl Chloride;2-(trifluoromethyl)benzylsulfonyl chloride;MFCD04972907;(2-(trifluoromethyl)phenyl)-methanesulfonyl chloride;[2-(Trifluoromethyl)phenyl]-methanesulfonyl chloride;(2-trifluoromethyl-phenyl)-methanesulfonyl chloride;2-(METHANESULFONYL CHLORIDE)BENZOTRIFLUORIDE;SCHEMBL270629;DTXSID90375779;CK2498;GEO-02379;AKOS000127644;AB21247;AS-15741;CS-0205087;FT-0642019;EN300-55834;(2-trifluoromethylphenyl)methanesulfonyl chloride;(2-(Trifluoromethyl)phenyl)methanesulfonylchloride;A841505;J-500535

Chemical Property of 2-Trifluoromethylbenzylsulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.00607mmHg at 25°C
• Refractive Index: 1.494
• Boiling Point: 281.4 °C at 760 mmHg
• Flash Point: 124 °C
• PSA: 42.52000
• Density: 1.506 g/cm³
• LogP: 3.85480
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 257.9729128
• Heavy Atom Count: 15
• Complexity: 307

Purity/Quality:

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

2-Trifluoromethylbenzylsulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CS(=O)(=O)Cl)C(F)(F)F

Technology Process of 2-Trifluoromethylbenzylsulfonyl chloride

There total 4 articles about 2-Trifluoromethylbenzylsulfonyl chloride 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: 90.0%

→ (2-(trifluoromethyl)phenyl)methanesulfonyl chloride (85952-32-5)

Guidance literature:

Reference yield: 85.0%

(2-trifluoromethylphenyl)methanesulfonic acid (862896-97-7) → (2-(trifluoromethyl)phenyl)methanesulfonyl chloride (85952-32-5)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; at -20 - 0 ℃; for 5h;

Reference yield:

(2-trifluoromethylphenyl)-methanesulfonic acid, sodium salt → (2-(trifluoromethyl)phenyl)methanesulfonyl chloride (85952-32-5)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; water; at 0 - 5 ℃; for 16h;

upstream raw materials:

(2-trifluoromethylphenyl)methanesulfonic acid

Downstream raw materials:

methyl 3-[(2,2-difluoroethyl)(2-trifluoromethylphenylmethanesulfonyl)amino]-pyridine-2-carboxylate

1-(2,2-difluoroethyl)-2,2-dioxo-3-(2-trifluoromethyl-phenyl)-1,2-dihydro-2-thia-1,5-diazanaphthalen-4-ol

(R)-1-(1H-indol-3-yl)-2-(2-trifluoromethylphenylmethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline

(2-trifluoromethylphenyl)-methanesulfonamide

Refernces

• 1、 -. "PHARMACEUTICAL COMPOSITION FOR TOPICAL ADMINISTRATION". Paragraph 0131. . Retrieved 2017/01/26.
• 2、 -. "INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2". Page/Page column 31-32. . Retrieved 2008/06/13.