4-Butylbenzonitrile

Base Information

Chemical Name:4-Butylbenzonitrile
CAS No.:20651-73-4
Molecular Formula:C11H13N
Molecular Weight:159.231
Hs Code.:2926909090
European Community (EC) Number:623-190-2
DSSTox Substance ID:DTXSID40174693
Nikkaji Number:J30.851J
Wikidata:Q83044799
Mol file:20651-73-4.mol

Synonyms:4-Butylbenzonitrile;20651-73-4;Benzonitrile, 4-butyl-;Benzonitrile,4-butyl-;4-n-Butylbenzonitrile;4-butylbenzenecarbonitrile;4-butyl-benzonitrile;4-Butylbenzonitrile #;1-Butyl-4-cyanobenzene;4-(n-butyl)benzonitrile;4-Butylbenzonitrile, 98%;p-tertiary butylbenzyl cyanide;SCHEMBL3753968;DTXSID40174693;MFCD00052345;AKOS015839523;AS-57716;CS-0186971;FT-0617945;D97359;A814768;J-013490

Suppliers and Price of 4-Butylbenzonitrile

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-Butylbenzonitrile
500mg
$ 65.00

TRC
4-Butylbenzonitrile
100mg
$ 45.00

SynQuest Laboratories
4-Butylbenzonitrile
2.5 g
$ 49.00

SynQuest Laboratories
4-Butylbenzonitrile
25 g
$ 261.00

SynQuest Laboratories
4-Butylbenzonitrile
5 g
$ 69.00

Sigma-Aldrich
4-Butylbenzonitrile 98%
5g
$ 71.90

Matrix Scientific
4-n-Butylbenzonitrile 98%
5g
$ 67.00

Matrix Scientific
4-n-Butylbenzonitrile 98%
25g
$ 287.00

Crysdot
4-Butylbenzonitrile 97%
100g
$ 530.00

American Custom Chemicals Corporation
4-BUTYLBENZONITRILE 95.00%
25G
$ 1354.82

Total 25 raw suppliers

Chemical Property of 4-Butylbenzonitrile

Chemical Property:

Appearance/Colour:clear colorless liquid
Vapor Pressure:0.0114mmHg at 25°C
Refractive Index:n20/D 1.515(lit.)
Boiling Point:261.7 °C at 760 mmHg
Flash Point:112.2 °C
PSA：23.79000
Density:0.96 g/cm³
LogP:2.90088
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:159.104799419
Heavy Atom Count:12
Complexity:157

Purity/Quality:

97% ^*data from raw suppliers

4-Butylbenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi,Xn
Hazard Codes:Xn,Xi
Statements: 20/21/22-36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCC1=CC=C(C=C1)C#N

Technology Process of 4-Butylbenzonitrile

There total 45 articles about 4-Butylbenzonitrile 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: 97.0%

: 623-03-0
4-Cyanochlorobenzene

: 4426-47-5
butylboronic acid

: 20651-73-4
4-butylbenzonitrile

Guidance literature:: With potassium phosphate; monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 100 ℃; for 12h;
DOI:10.1021/jo025732j

Reference yield: 95.0%

: 623-00-7
4-bromobenzenecarbonitrile

: 92273-73-9
n-butylzinc bromide

: 20651-73-4
4-butylbenzonitrile

Guidance literature:: With Ditricyp; bis(η3-allyl-μ-chloropalladium(II)); In tetrahydrofuran; N,N-dimethyl-formamide; at 70 ℃; for 20h;
DOI:10.1016/j.tet.2007.06.072

Reference yield: 94.0%

: 557-21-1
zinc(II) cyanide

: 15499-27-1
4-n-butylchlorobenzene

: 20651-73-4
4-butylbenzonitrile

Guidance literature:: With dmap; (dppf)Ni(o-tol)Cl; In acetonitrile; at 60 ℃; for 4h; Reagent/catalyst; Schlenk technique; Inert atmosphere; Sealed tube;
DOI:10.1021/acs.orglett.7b00732