2-[4-(Trifluoromethyl)phenyl]benzonitrile

Base Information

Chemical Name:2-[4-(Trifluoromethyl)phenyl]benzonitrile
CAS No.:91748-21-9
Molecular Formula:C₁₄H₈F₃N
Molecular Weight:247.219
Hs Code.:
European Community (EC) Number:618-786-4
DSSTox Substance ID:DTXSID70602479
Nikkaji Number:J1.576.577A
Wikidata:Q82499575
Mol file:91748-21-9.mol

Synonyms:91748-21-9;2-[4-(trifluoromethyl)phenyl]benzonitrile;4'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carbonitrile;4-(trifluoromethyl)-2'-biphenylcarbonitrile;4'-Trifluoromethyl-biphenyl-2-carbonitrile;4'-(Trifluoromethyl)biphenyl-2-carbonitrile;4'-(trifluoromethyl)[1,1'-biphenyl]-2-carbonitrile;SCHEMBL6561038;DTXSID70602479;GEEFGWAHOWAUJX-UHFFFAOYSA-N;MFCD03412288;AKOS004118637;BS-24852;CS-0209367;G73021;2-[4-(trifluoromethyl)phenyl]benzenecarbonitrile;A810993

Suppliers and Price of 2-[4-(Trifluoromethyl)phenyl]benzonitrile

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
4'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carbonitrile 95+%
25g
$ 565.00

CHESS?
SG000359:4'-Trifluoromethyl-biphenyl-2-carbonitrile 99
5 g
$ 1140.00

American Custom Chemicals Corporation
4'-TRIFLUOROMETHYL-BIPHENYL-2-CARBONITRILE 95.00%
1G
$ 179.55

AK Scientific
2-[4-(Trifluoromethyl)phenyl]benzonitrile
5g
$ 291.00

Total 7 raw suppliers

Chemical Property of 2-[4-(Trifluoromethyl)phenyl]benzonitrile

Chemical Property:

PSA：23.79000
LogP:4.24408
XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:247.06088375
Heavy Atom Count:18
Complexity:320

Purity/Quality:

98%min ^*data from raw suppliers

4'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 20/21/22
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-[4-(Trifluoromethyl)phenyl]benzonitrile

There total 6 articles about 2-[4-(Trifluoromethyl)phenyl]benzonitrile 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: 94.0%

: 2042-37-7
o-cyanobromobenzene

: 128796-39-4
4-trifluoromethylphenylboronic acid

: 91748-21-9
4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carbonitrile

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In water; N,N-dimethyl-formamide; at 100 ℃; for 18h; Inert atmosphere;
DOI:10.3762/bjoc.17.181

Reference yield: 81.0%

: 873-32-5
2-Chlorobenzonitrile

: 128796-39-4
4-trifluoromethylphenylboronic acid

: 91748-21-9
4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carbonitrile

Guidance literature:: With potassium fluoride; 5% Pd(II)/C(eggshell); tetrabutylammomium bromide; In water; at 140 ℃; for 19h;
DOI:10.1021/ol101490n

Reference yield: 68.0%

: 2042-37-7
o-cyanobromobenzene

: 402-43-7
p-trifluoromethylphenyl bromide

: 91748-21-9
4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carbonitrile

Guidance literature:: o-cyanobromobenzene; With magnesium; lithium chloride; In tetrahydrofuran; at 25 ℃; for 0.583333h; Inert atmosphere;

With zinc(II) chloride; In tetrahydrofuran; for 0.25h; Inert atmosphere;

p-trifluoromethylphenyl bromide; With trifuran-2-yl-phosphane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; at 25 ℃; for 16h; Inert atmosphere;
DOI:10.1002/chem.200900575