3-[4-(Trifluoromethyl)phenyl]benzonitrile

Base Information

Chemical Name:3-[4-(Trifluoromethyl)phenyl]benzonitrile
CAS No.:893734-90-2
Molecular Formula:C14H8F3N
Molecular Weight:247.219
Hs Code.:2926909090
DSSTox Substance ID:DTXSID60400582
Wikidata:Q82203591
Mol file:893734-90-2.mol

Synonyms:3-[4-(trifluoromethyl)phenyl]benzonitrile;893734-90-2;4'-(Trifluoromethyl)-[1,1'-biphenyl]-3-carbonitrile;4'-(Trifluoromethyl)[1,1'-biphenyl]-3-carbonitrile;DTXSID60400582;WZGRFIOYNFHFIM-UHFFFAOYSA-N;MFCD06802009;AKOS004117458;BS-25266;BB 0223031

Suppliers and Price of 3-[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]-3-carbonitrile 95+%
10g
$ 395.00

AK Scientific
3-[4-(Trifluoromethyl)phenyl]benzonitrile
10g
$ 611.00

Total 1 raw suppliers

Chemical Property of 3-[4-(Trifluoromethyl)phenyl]benzonitrile

Chemical Property:

Melting Point:61.6-63.8 °C
Boiling Point:319.4±42.0 °C(Predicted)
PSA：23.79000
Density:1.28±0.1 g/cm3(Predicted)
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:: 4'-(Trifluoromethyl)-[1,1'-biphenyl]-3-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-[4-(Trifluoromethyl)phenyl]benzonitrile

There total 9 articles about 3-[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: 99.0%

: 98-56-6
4-chlorobenzotrifluoride

: 150255-96-2
(3‐cyanophenyl)boronic acid

: 893734-90-2
4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbonitrile

Guidance literature:: With C₄₂H₃₂N₈O₈Pd⁽²⁺⁾*2Cl^(1-); tetrabutylammomium bromide; potassium carbonate; In water; at 100 ℃; for 1h; High pressure;
DOI:10.1021/acs.organomet.8b00195

Reference yield: 92.0%

: 6952-59-6
3-cyanobromobenzene

: 128796-39-4
4-trifluoromethylphenylboronic acid

: 893734-90-2
4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbonitrile

Guidance literature:: With C₃₅H₄₇O₃P*C₁₅H₁₆N^(1-)*CH₃O₃S^(1-)*Pd⁽²⁺⁾; triethylamine; In water; at 45 ℃; for 24h;
DOI:10.1039/c9sc02528f

Reference yield: 91.0%

: 873838-45-0
3-cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

: (4-(trifluoromethyl)phenyl)zinc pivalate

: 893734-90-2
4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbonitrile

Guidance literature:: With bis(triphenylphosphine)nickel(II) chloride; In tetrahydrofuran; at 40 ℃; for 5h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.8b03417