3,3'-Bis(trifluoromethyl)-1,1'-biphenyl

Base Information

Chemical Name:3,3'-Bis(trifluoromethyl)-1,1'-biphenyl
CAS No.:580-82-5
Molecular Formula:C14H8F6
Molecular Weight:290.208
Hs Code.:2903999090
DSSTox Substance ID:DTXSID00400561
Nikkaji Number:J534.972I
Wikidata:Q82203570
Mol file:580-82-5.mol

Synonyms:3,3'-Bis(trifluoromethyl)-1,1'-biphenyl;580-82-5;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene;SCHEMBL1263144;3,3'-bistrifluoromethylbiphenyl;DTXSID00400561;COVAIPUHJRFGFP-UHFFFAOYSA-N;3,3'-Bis-(trifluoromethyl)biphenyl;AKOS005216851

Suppliers and Price of 3,3'-Bis(trifluoromethyl)-1,1'-biphenyl

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

Crysdot
3,3'-Bis(trifluoromethyl)-1,1'-biphenyl 97%
1g
$ 455.00

American Custom Chemicals Corporation
3,3'-BIS-(TRIFLUOROMETHYL)BIPHENYL 95.00%
5MG
$ 502.96

Alichem
3,3'-Bis-(trifluoromethyl)biphenyl
500mg
$ 798.70

Alichem
3,3'-Bis-(trifluoromethyl)biphenyl
250mg
$ 470.40

Total 5 raw suppliers

Chemical Property of 3,3'-Bis(trifluoromethyl)-1,1'-biphenyl

Chemical Property:

PSA：0.00000
LogP:5.39120
Storage Temp.:2-8°C
XLogP3:5.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:290.05301923
Heavy Atom Count:20
Complexity:287

Purity/Quality:

99% ^*data from raw suppliers

3,3'-Bis(trifluoromethyl)-1,1'-biphenyl 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC=C2)C(F)(F)F

Technology Process of 3,3'-Bis(trifluoromethyl)-1,1'-biphenyl

There total 21 articles about 3,3'-Bis(trifluoromethyl)-1,1'-biphenyl 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: 81.0%

: 2042-37-7
o-cyanobromobenzene

: 401-81-0
m-trifluoromethylphenyl iodide

: 4341-02-0
biphenyl-2,2'-dicarbonitrile

: 580-82-5
3,3'-bis(trifluoromethyl)biphenyl

: 100-47-0
benzonitrile

: 3'-(trifluoromethyl)-[1,1'-biphenyl]-2-carbonitrile

Guidance literature:: With pyridine; tetrabutylammonium tetrafluoroborate; In acetonitrile; at 20 ℃; Electrolysis; iron rod as anode; stainless steel grid as cathode;
DOI:10.1016/S0040-4020(02)01030-X

Reference yield: 80.0%

: 401-78-5
3-bromo-1-trifluoromethylbenzene

: 7440-66-6
zinc

: 98-08-8
α,α,α-trifluorotoluene

: 580-82-5
3,3'-bis(trifluoromethyl)biphenyl

: 199465-55-9
3-(trifluoromethyl)phenylzinc bromide

Guidance literature:: With trifluoroacetic acid; cobalt(II) bromide; zinc dibromide; In acetonitrile; the mixt. in CH3CN was stirred at room temp., then arylbromide was added, stirred at room temp.; GC analysis;
DOI:10.1021/ja0289494

Reference yield: 80.0%

: 76644-52-5,76704-31-9,14447-34-8,62247-41-0
rac-3-acetoxycyclohexene

: 580-82-5
3,3'-bis(trifluoromethyl)biphenyl

: 3’-(trifluoromethyl)-1,2,3,4-tetrahydro-1,1'-biphenyl

Guidance literature:: 3-CF₃C₆H₄MgX; With indium(III) chloride; In tetrahydrofuran; at 20 ℃; for 1h;

rac-3-acetoxycyclohexene; With triphenylphosphine; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In tetrahydrofuran; Heating;
DOI:10.1021/jo0357162