2-Ethynyl-1,4-bis(trifluoromethyl)benzene

Base Information

Chemical Name:2-Ethynyl-1,4-bis(trifluoromethyl)benzene
CAS No.:88444-78-4
Molecular Formula:C10H4F6
Molecular Weight:238.12900
Hs Code.:
DSSTox Substance ID:DTXSID70555274
Wikidata:Q82436579

Synonyms:2-Ethynyl-1,4-bis(trifluoromethyl)benzene;88444-78-4;Benzene, 2-ethynyl-1,4-bis(trifluoromethyl)-;SCHEMBL20455634;DTXSID70555274;RENRBYCWFFOHIG-UHFFFAOYSA-N;[2,5-bis(trifluoromethyl)phenyl]acetylene

Suppliers and Price of 2-Ethynyl-1,4-bis(trifluoromethyl)benzene

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

Total 4 raw suppliers

Chemical Property of 2-Ethynyl-1,4-bis(trifluoromethyl)benzene

Chemical Property:

PSA：0.00000
LogP:3.70550
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:238.02171910
Heavy Atom Count:16
Complexity:291

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CC1=C(C=CC(=C1)C(F)(F)F)C(F)(F)F

Technology Process of 2-Ethynyl-1,4-bis(trifluoromethyl)benzene

There total 3 articles about 2-Ethynyl-1,4-bis(trifluoromethyl)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: 78.0%

: 1-(2,2-dichloro-1-fluoroethenyl)-2,5-bis(trifluoromethyl)benzene

: 88444-78-4
<2,5-bis-(trifluoromethyl)phenyl>acetylene

Guidance literature:: With n-butyllithium; In diethyl ether;
DOI:10.1246/bcsj.61.1625

Reference yield:

: 433-19-2
1,4-bis(trifluoromethyl)benzene

: 88444-78-4
<2,5-bis-(trifluoromethyl)phenyl>acetylene

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / butyllithium / diethyl ether / 1 h

2: 78 percent / butyllithium / diethyl ether

With n-butyllithium; In diethyl ether;
DOI:10.1246/bcsj.61.1625

Reference yield:

: 7617-93-8
2-bromo-1,4-bis-(trifluoromethyl)-benzene

: 88444-78-4
<2,5-bis-(trifluoromethyl)phenyl>acetylene

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) Mg

2: n-C₄H₉Li

With n-butyllithium; magnesium;
DOI:10.1016/S0022-1139(00)85570-0