3-(4-Fluorophenyl)benzonitrile

Base Information

Chemical Name:3-(4-Fluorophenyl)benzonitrile
CAS No.:10540-33-7
Molecular Formula:C13H8FN
Molecular Weight:197.212
Hs Code.:2926909090
DSSTox Substance ID:DTXSID80362714
Nikkaji Number:J2.335.668F
Wikidata:Q82146051
Mol file:10540-33-7.mol

Synonyms:3-(4-fluorophenyl)benzonitrile;10540-33-7;4'-Fluoro[1,1'-biphenyl]-3-carbonitrile;SCHEMBL20491327;DTXSID80362714;4'-fluoro-biphenyl-3-carbonitrile;MFCD05979962;AKOS002683426;BS-25746;BB 0223025;CS-0210487;4 inverted exclamation marka-Fluoro[1,1 inverted exclamation marka-biphenyl]-3-carbonitrile

Suppliers and Price of 3-(4-Fluorophenyl)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
3-(4-Fluorophenyl)benzonitrile
500mg
$ 115.00

TRC
3-(4-Fluorophenyl)benzonitrile
250mg
$ 75.00

Crysdot
3-(4-Fluorophenyl)benzonitrile 95+%
5g
$ 339.00

Crysdot
3-(4-Fluorophenyl)benzonitrile 95+%
10g
$ 564.00

Apolloscientific
3-(4-Fluorophenyl)benzonitrile 98%
1g
$ 150.00

Apolloscientific
3-(4-Fluorophenyl)benzonitrile 98%
5g
$ 445.00

AK Scientific
3-(4-Fluorophenyl)benzonitrile
1g
$ 211.00

Total 7 raw suppliers

Chemical Property of 3-(4-Fluorophenyl)benzonitrile

Chemical Property:

Melting Point:66.0-67.9 °C
Boiling Point:323.7±25.0 °C(Predicted)
PSA：23.79000
Density:1.19±0.1 g/cm3(Predicted)
LogP:3.36438
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:197.064077422
Heavy Atom Count:15
Complexity:247

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Fluorophenyl)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)F)C#N

Technology Process of 3-(4-Fluorophenyl)benzonitrile

There total 7 articles about 3-(4-Fluorophenyl)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: 92.6%

: 6952-59-6
3-cyanobromobenzene

: 214360-58-4
2-(4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 10540-33-7
4'-fluoro-[1,1'-biphenyl]-3-carbonitrile

Guidance literature:: With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,4-dioxane; water; at 90 ℃; for 12h; Inert atmosphere;

Reference yield: 84.0%

: 352-34-1
4-fluoro-1-iodobenzene

: 6952-59-6
3-cyanobromobenzene

: 10540-33-7
4'-fluoro-[1,1'-biphenyl]-3-carbonitrile

Guidance literature:: 4-fluoro-1-iodobenzene; With TurboGrignard; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

3-cyanobromobenzene; With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride; In tetrahydrofuran; at 25 ℃; for 0.0833333h; Inert atmosphere;
DOI:10.1002/anie.200803730

Reference yield: 82.0%

: 6952-59-6
3-cyanobromobenzene

: 352-33-0
1-Chloro-4-fluorobenzene

: 10540-33-7
4'-fluoro-[1,1'-biphenyl]-3-carbonitrile

Guidance literature:: 3-cyanobromobenzene; With (2-(anthracen-9-yl)-1H-inden-3-yl)dicyclohexylphosphine; potassium acetate; bis(pinacol)diborane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In N,N-dimethyl acetamide; at 100 ℃; for 3h; Inert atmosphere; Schlenk technique;

1-Chloro-4-fluorobenzene; With potassium phosphate tribasic trihydrate; In N,N-dimethyl acetamide; at 100 ℃; for 16h; Inert atmosphere; Schlenk technique;
DOI:10.1039/c4ob02436b