4-(4-Bromophenyl)-4-oxobutanenitrile

Base Information

Chemical Name:4-(4-Bromophenyl)-4-oxobutanenitrile
CAS No.:51765-77-6
Molecular Formula:C10H8BrNO
Molecular Weight:238.084
Hs Code.:2926909090
European Community (EC) Number:849-992-4
DSSTox Substance ID:DTXSID50542228
Nikkaji Number:J3.489.503A
Wikidata:Q82418818
Mol file:51765-77-6.mol

Synonyms:4-(4-bromophenyl)-4-oxobutanenitrile;51765-77-6;4-(4-Bromophenyl)-4-Oxobutyronitrile;MFCD02260543;SCHEMBL8533727;DTXSID50542228;AKOS009626000;CS-0308177;EN300-110491;G29024;Z440602696

Suppliers and Price of 4-(4-Bromophenyl)-4-oxobutanenitrile

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-(4-Bromophenyl)-4-oxobutanenitrile
500mg
$ 90.00

Rieke Metals
4-(4-Bromophenyl)-4-oxobutyronitrile 97%
5g
$ 1250.00

Rieke Metals
4-(4-Bromophenyl)-4-oxobutyronitrile 97%
1g
$ 366.00

Rieke Metals
4-(4-Bromophenyl)-4-oxobutyronitrile 97%
2g
$ 580.00

Matrix Scientific
4-(4-Bromophenyl)-4-oxobutyronitrile
5g
$ 1165.00

Matrix Scientific
4-(4-Bromophenyl)-4-oxobutyronitrile
2g
$ 576.00

Matrix Scientific
4-(4-Bromophenyl)-4-oxobutyronitrile
1g
$ 385.00

Heterocyclics
4-(4-Bromophenyl)-4-oxobutanenitrile 97%
5g
$ 185.00

Heterocyclics
4-(4-Bromophenyl)-4-oxobutanenitrile 97%
1g
$ 57.00

Heterocyclics
4-(4-Bromophenyl)-4-oxobutanenitrile 97%
25g
$ 573.00

Total 3 raw suppliers

Chemical Property of 4-(4-Bromophenyl)-4-oxobutanenitrile

Chemical Property:

Vapor Pressure:1.85E-06mmHg at 25°C
Refractive Index:1.563
Boiling Point:395.3°C at 760 mmHg
Flash Point:192.9°C
PSA：40.86000
Density:1.455g/cm³
LogP:2.93558
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:236.97893
Heavy Atom Count:13
Complexity:222

Purity/Quality:

98% ^*data from raw suppliers

4-(4-Bromophenyl)-4-oxobutanenitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)CCC#N)Br

Technology Process of 4-(4-Bromophenyl)-4-oxobutanenitrile

There total 18 articles about 4-(4-Bromophenyl)-4-oxobutanenitrile 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: 95.0%

: 1122-91-4
4-bromo-benzaldehyde

: 107-13-1,25014-41-9
acrylonitrile

: 51765-77-6
4-(4-bromo-phenyl)-4-oxo-butyronitrile

Guidance literature:: With Cu doped graphitic carbon nitride; In water; at 20 ℃; for 4h; Sealed tube; Irradiation; Green chemistry;
DOI:10.1002/ejoc.202000945

Reference yield: 86.0%

: 107-14-2
chloroacetonitrile

: [1-(4-bromo-phenyl)-vinyloxy]-tert-butyl-dimethyl-silane

: 51765-77-6
4-(4-bromo-phenyl)-4-oxo-butyronitrile

Guidance literature:: chloroacetonitrile; [1-(4-bromo-phenyl)-vinyloxy]-tert-butyl-dimethyl-silane; With 2,6-dimethylpyridine; potassium 5-bromo-1H-indole-1-carbodithioate; In acetonitrile; at 25 ℃; for 24h; Schlenk technique; Inert atmosphere; Irradiation;

With trifluoroacetic acid; In chloroform; acetonitrile; Schlenk technique; Inert atmosphere;
DOI:10.1002/anie.201915814

Reference yield: 83.0%

: 107-13-1,25014-41-9
acrylonitrile

: 307930-87-6
S-(2-pyridyl) 4-bromothiobenzoate

: 51765-77-6
4-(4-bromo-phenyl)-4-oxo-butyronitrile

Guidance literature:: With C₅₃H₇₄CoN₅O₁₅⁽¹⁺⁾*ClO₄^(1-)*H₂O; ammonium chloride; zinc; In acetonitrile; at 19 - 25 ℃; for 16h; Sealed tube; Inert atmosphere; Irradiation;
DOI:10.1002/adsc.201700913