4-(2-cyanophenyl)benzoic Acid

Base Information

Chemical Name:4-(2-cyanophenyl)benzoic Acid
CAS No.:5728-44-9
Molecular Formula:C₁₄H₉NO₂
Molecular Weight:223.231
Hs Code.:
European Community (EC) Number:801-775-5
DSSTox Substance ID:DTXSID60444047
Mol file:5728-44-9.mol

Synonyms:5728-44-9;4-(2-cyanophenyl)benzoic Acid;2'-Cyano-[1,1'-biphenyl]-4-carboxylic acid;2'-Cyano[1,1'-biphenyl]-4-carboxylic acid;2'-cyano-4-biphenylcarboxylic acid;[1,1'-Biphenyl]-4-carboxylic acid, 2'-cyano-;2'-Cyano-[1,1'-biphenyl]-4-carboxylicacid;SCHEMBL2039846;DTXSID60444047;MZIFVOLYXURHDM-UHFFFAOYSA-N;MFCD06802562;4-Biphenylcarboxylic acid, 2'-cyano-;AKOS004118806;AB92563;BS-29102;BB 0223676;CS-0195907;E90043;EN300-115236;Z1483132821

Suppliers and Price of 4-(2-cyanophenyl)benzoic Acid

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-(2-Cyanophenyl)benzoicacid
500mg
$ 175.00

TRC
4-(2-Cyanophenyl)benzoicacid
250mg
$ 115.00

Crysdot
2'-Cyano-[1,1'-biphenyl]-4-carboxylicacid 95+%
5g
$ 353.00

AOBChem
2'-Cyano-[1,1'-biphenyl]-4-carboxylicacid 95%
100g
$ 4022.00

AOBChem
2'-Cyano-[1,1'-biphenyl]-4-carboxylicacid 95%
500mg
$ 87.00

American Custom Chemicals Corporation
2'-CYANO-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID 95.00%
5MG
$ 502.30

Alichem
2'-Cyano-[1,1'-biphenyl]-4-carboxylicacid
5g
$ 400.00

AK Scientific
2'-Cyano-[1,1'-biphenyl]-4-carboxylicacid
5g
$ 651.00

AK Scientific
2'-Cyano-[1,1'-biphenyl]-4-carboxylicacid
1g
$ 211.00

Acrotein
2'-Cyano-4-biphenylcarboxylicacid 97%
0.5g
$ 103.03

Total 8 raw suppliers

Chemical Property of 4-(2-cyanophenyl)benzoic Acid

Chemical Property:

Vapor Pressure:8.55E-14mmHg at 25°C
Boiling Point:569.2°C at 760 mmHg
Flash Point:298°C
PSA：61.09000
Density:1.622g/cm³
LogP:2.92348
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:223.063328530
Heavy Atom Count:17
Complexity:322

Purity/Quality:

98%Min ^*data from raw suppliers

4-(2-Cyanophenyl)benzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-(2-cyanophenyl)benzoic Acid

There total 6 articles about 4-(2-cyanophenyl)benzoic Acid 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: 92.0%

: 5728-44-9
2'-cyano[1,1'-biphenyl]-4-carboxylic acid

Guidance literature:

Reference yield:

: 2042-37-7
o-cyanobromobenzene

: 14047-29-1
4-carboxyphenylboronic acid

: 5728-44-9
2'-cyano[1,1'-biphenyl]-4-carboxylic acid

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In 1,4-dioxane; for 1h; Heating;
DOI:10.1016/j.bmcl.2003.11.079

Reference yield:

: 2052-07-5
2-Bromobiphenyl

: 5728-44-9
2'-cyano[1,1'-biphenyl]-4-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: AlCl₃ / nitrobenzene

2: aq. NaOBr / dioxane

3: Py / dimethylformamide

With pyridine; aluminium trichloride; sodium hypobromide; In 1,4-dioxane; nitrobenzene; N,N-dimethyl-formamide;
DOI:10.1039/j39660000840