1-Ethynyl-2,3,4,5-tetrafluorobenzene

Base Information

• Chemical Name: 1-Ethynyl-2,3,4,5-tetrafluorobenzene
• CAS No.: 21622-12-8
• Molecular Formula: C8H2 F4
• Molecular Weight: 174.097
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID50600852
• Nikkaji Number: J3.650.687C
• Wikidata: Q82497154
• Mol file: 21622-12-8.mol

Synonyms:1-ethynyl-2,3,4,5-tetrafluorobenzene;21622-12-8;1-ETHYNYL-2,3,4,5-TETRAFLUORO-BENZENE;SCHEMBL544255;DTXSID50600852;AKOS006237863;EN300-1853972

Chemical Property of 1-Ethynyl-2,3,4,5-tetrafluorobenzene

Chemical Property:

• Vapor Pressure: 6.71mmHg at 25°C
• Refractive Index: 1.452
• Boiling Point: 143.4°C at 760 mmHg
• Flash Point: 48.1°C
• PSA: 0.00000
• Density: 1.37g/cm³
• LogP: 2.22430
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 174.00926271
• Heavy Atom Count: 12
• Complexity: 206

Purity/Quality:

97% ^*data from raw suppliers

1-ETHYNYL-2,3,4,5-TETRAFLUORO-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CC(=C(C(=C1F)F)F)F

Technology Process of 1-Ethynyl-2,3,4,5-tetrafluorobenzene

There total 1 articles about 1-Ethynyl-2,3,4,5-tetrafluorobenzene 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:

2,3-Bis-monochlor-methyl-1,4,5,6,7,7,8,8-octafluor-bicyclo<2.2.2>octadien-(2,5) (21622-21-9) → 2,3,4,5-tetrafluorophenylacetylene (21622-12-8)

Guidance literature:

at 600 ℃;

DOI:10.1039/j39690000211

Reference yield: 75.0%

o-formylbenzonitrile (7468-67-9) + 2,3,4,5-tetrafluorophenylacetylene (21622-12-8) + bis(4-bromophenyl)iodonium triflate (139139-81-4) → 2-(4-bromophenyl)-3-(2-oxo-2-(2,3,4,5-tetrafluorophenyl)ethyl)isoindolin-1-one

Guidance literature:

With trifluorormethanesulfonic acid; copper(II) bis(trifluoromethanesulfonate); In 1,2-dichloro-ethane; at 110 ℃; for 2h;

upstream raw materials:

2,3-Bis-monochlor-methyl-1,4,5,6,7,7,8,8-octafluor-bicyclo<2.2.2>octadien-(2,5)