[1,1'-Biphenyl]-2-carbonitrile

Base Information

• Chemical Name: [1,1'-Biphenyl]-2-carbonitrile
• CAS No.: 24973-49-7
• Molecular Formula: C13H9 N
• Molecular Weight: 179.221
• Hs Code.: 29269090
• European Community (EC) Number: 653-171-4
• DSSTox Substance ID: DTXSID80179687
• Nikkaji Number: J145.972D
• Wikidata: Q83050214
• ChEMBL ID: CHEMBL4102851
• Mol file: 24973-49-7.mol

Synonyms:2-Cyanobiphenyl;24973-49-7;[1,1'-Biphenyl]-2-carbonitrile;2-phenylbenzonitrile;Biphenyl-2-carbonitrile;2-Biphenylcarbonitrile;(1,1'-Biphenyl)-2-carbonitrile;cyanobiphenyl;o-Cyanobiphenyl;o-biphenyl nitrile;o-Phenylbenzonitril;SCHEMBL223;1,1'-Biphenyl-2-carbonitrile;CHEMBL4102851;WLPATYNQCGVFFH-UHFFFAOYSA-;DTXSID80179687;ZAA97349;MFCD00060669;AKOS006343705;CS-W017259;AC-18699;AS-60398;FT-0676394;W16939;EN300-1387180;A817584;5-chloro-1,2,3,4-tetrahydro-quinolinehydrochloride;Z1201618552;InChI=1/C13H9N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H;27104-67-2

Chemical Property of [1,1'-Biphenyl]-2-carbonitrile

Chemical Property:

• Vapor Pressure: 5.67E-05mmHg at 25°C
• Melting Point: 35-37°C
• Refractive Index: 1.616
• Boiling Point: 346.7 °C at 760 mmHg
• Flash Point: 164.3 °C
• PSA: 23.79000
• Density: 1.11 g/cm³
• LogP: 3.22528
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 179.073499291
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

97% ^*data from raw suppliers

2-Phenylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=CC=C2C#N

Technology Process of [1,1'-Biphenyl]-2-carbonitrile

There total 25 articles about [1,1'-Biphenyl]-2-carbonitrile 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: 90.0%

o-cyanobromobenzene (2042-37-7) + tetraphenyltin(IV) (595-90-4) → biphenyl (92-52-4,1594-86-1) + biphenyl-2-carbonitrile (24973-49-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; poly(ethylene glycol)-400; sodium acetate; at 100 ℃; for 2h;

DOI:10.1021/jo9005206

Reference yield: 55.9%

benzonitrile (100-47-0) + phenol (108-95-2,27073-41-2) → 3-phenylbenzonitrile (24973-50-0) + biphenyl-2-carbonitrile (24973-49-7) + 4-cyano-1,1'-biphenyl (2920-38-9)

Guidance literature:

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

Reference yield: 55.0%

o-cyanobromobenzene (2042-37-7) + triphenylbismuthane (603-33-8) → biphenyl (92-52-4,1594-86-1) + biphenyl-2-carbonitrile (24973-49-7)

Guidance literature:

With caesium carbonate; triphenylphosphine; palladium dichloride; In N,N-dimethyl acetamide; at 90 ℃; for 2h;

DOI:10.1016/j.tet.2008.04.011

upstream raw materials:

terephthalonitrile

methanol

biphenyl

2,5-dimethyl-1,5-hexadiene

Downstream raw materials:

2-phenylbenzophenone

2-phenylbenzylamine

2-phenylbenzophenone imine

[1,1'-biphenyl]-2-yl(cyclohexyl)methanone