1,4-Difluoro-2-(methylsulfonyl)benzene

Base Information

• Chemical Name: 1,4-Difluoro-2-(methylsulfonyl)benzene
• CAS No.: 236739-03-0
• Molecular Formula: C₇H₆F₂O₂S
• Molecular Weight: 192.186
• Hs Code.: 2904909090
• European Community (EC) Number: 927-269-5
• DSSTox Substance ID: DTXSID90382625
• Wikidata: Q72463472
• Mol file: 236739-03-0.mol

Synonyms:1,4-Difluoro-2-(methylsulfonyl)benzene;236739-03-0;1,4-Difluoro-2-(methylsulfonyl)-benzene;1,4-difluoro-2-methylsulfonylbenzene;1,4-difluoro-2-methanesulfonylbenzene;1,4-difluoro-2-(methylsulphonyl)benzene;SCHEMBL5097716;DTXSID90382625;2,5-difluorophenyl methyl sulfone;MFCD06800566;AKOS006230024;AC-4581;PS-8332;1,4-bis(fluoranyl)-2-methylsulfonyl-benzene;Benzene, 1,4-difluoro-2-(methylsulfonyl)-;CS-0105530;FT-0691455;C13920;A816838;J-503990

Chemical Property of 1,4-Difluoro-2-(methylsulfonyl)benzene

Chemical Property:

• Appearance/Colour: White to light yellow solid
• Vapor Pressure: 0.00129mmHg at 25°C
• Refractive Index: 1.49
• Boiling Point: 307.8 °C at 760 mmHg
• Flash Point: 139.9 °C
• PSA: 42.52000
• Density: 1.376 g/cm³
• LogP: 2.44910
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 192.00565693
• Heavy Atom Count: 12
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

1,4-Difluoro-2-(methylsulfonyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,4-Difluoro-2-(methylsulfonyl)benzene

There total 2 articles about 1,4-Difluoro-2-(methylsulfonyl)benzene 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:

C6H3F2O2S(1-)*Na(1+) (1101821-02-6) + bromoacetic acid (79-08-3) → 1,4-difluoro-2-methanesulfonyl-benzene (236739-03-0)

Guidance literature:

With sodium hydroxide; In water; at 90 ℃; for 10h; pH=8.20;

Reference yield:

para-difluorobenzene (540-36-3) + Methanesulfonic anhydride (7143-01-3) → 1,4-difluoro-2-methanesulfonyl-benzene (236739-03-0)

Guidance literature:

With trifluorormethanesulfonic acid; tris(trifluoromethanesulfonyloxy)boron; at 40 ℃; for 3h;

upstream raw materials:

para-difluorobenzene

Methanesulfonic anhydride

C₆H₃F₂O₂S^(1-)*Na⁽¹⁺⁾

bromoacetic acid