4-(3-Cyanophenyl)benzonitrile

Base Information

Chemical Name:4-(3-Cyanophenyl)benzonitrile
CAS No.:42289-54-3
Molecular Formula:C14H8N2
Molecular Weight:204.231
Hs Code.:2926909090
DSSTox Substance ID:DTXSID00362670
Wikidata:Q82145968
Mol file:42289-54-3.mol

Synonyms:4-(3-Cyanophenyl)benzonitrile;42289-54-3;3-(4-cyanophenyl)benzonitrile;SCHEMBL21189130;DTXSID00362670;MFCD05981022;BS-28367

Suppliers and Price of 4-(3-Cyanophenyl)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

TRC
4-(3-Cyanophenyl)benzonitrile
1g
$ 115.00

TRC
4-(3-Cyanophenyl)benzonitrile
500mg
$ 85.00

Crysdot
4-(3-Cyanophenyl)benzonitrile 95+%
10g
$ 395.00

Total 1 raw suppliers

Chemical Property of 4-(3-Cyanophenyl)benzonitrile

Chemical Property:

PSA：47.58000
LogP:3.09696
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:204.068748264
Heavy Atom Count:16
Complexity:321

Purity/Quality:: 4-(3-Cyanophenyl)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 4-(3-Cyanophenyl)benzonitrile

There total 4 articles about 4-(3-Cyanophenyl)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: 19.8%

: 100-47-0
benzonitrile

: 108-95-2,27073-41-2
phenol

: 1591-30-6
(1,1'-biphenyl)-4,4'-dicarbonitrile

: 36852-02-5
3,3'-dicyanobiphenyl

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

: 42289-54-3
biphenyl-3,4'-dicarbonitrile

: 42289-52-1
[1,1'-biphenyl]-2,4'-dicarbonitrile

: 42289-51-0
Biphenyl-2,3'-dicarbonitrile

Guidance literature:: With tert.-butylhydroperoxide; iodine; at 289.9 ℃; for 0.0272222h; Product distribution;

Reference yield:

: 6952-59-6
3-cyanobromobenzene

: 3058-39-7
4-iodobenzonitrile

: 42289-54-3
biphenyl-3,4'-dicarbonitrile

Guidance literature:: 3-cyanobromobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 1.63889E-05h; Flow reactor;

With Trimethyl borate; In tetrahydrofuran; hexane; at 0 ℃; for 0.000555556h; Flow reactor;

4-iodobenzonitrile; In tetrahydrofuran; methanol; hexane; at 120 ℃; for 0.156667h; Temperature; Flow reactor;
DOI:10.1039/c5cy02098k

Reference yield:

: 69113-59-3
3-iodobenzonitrile

: 623-00-7
4-bromobenzenecarbonitrile

: 42289-54-3
biphenyl-3,4'-dicarbonitrile

Guidance literature:: 4-bromobenzenecarbonitrile; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 1.63889E-05h; Flow reactor;

With Trimethyl borate; In tetrahydrofuran; hexane; at 0 ℃; for 0.000555556h; Flow reactor;

3-iodobenzonitrile; In tetrahydrofuran; methanol; hexane; at 120 ℃; for 0.156667h; Temperature; Flow reactor;
DOI:10.1039/c5cy02098k