2-(4-Bromophenyl)propanenitrile

Base Information

Chemical Name:2-(4-Bromophenyl)propanenitrile
CAS No.:42186-06-1
Molecular Formula:C9H8BrN
Molecular Weight:210.073
Hs Code.:2926909090
European Community (EC) Number:843-545-7
DSSTox Substance ID:DTXSID60444360
Nikkaji Number:J1.094.542I
Mol file:42186-06-1.mol

Synonyms:2-(4-bromophenyl)propanenitrile;42186-06-1;2-(4-Bromophenyl)propionitrile;2-(4-bromophenyl)-propionitrile;SCHEMBL164184;DTXSID60444360;FSSOXPFLDSMDKO-UHFFFAOYSA-N;2-(4-bromo-phenyl)-propionitrile;MFCD11036513;AKOS016000565;DS-5440;racemic 2-(4-bromo-phenyl)-propionitrile;CS-0154986;EN300-122965;J-505919;Z1269233209

Suppliers and Price of 2-(4-Bromophenyl)propanenitrile

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
2-(4-bromophenyl)propanenitrile
500mg
$ 285.00

Matrix Scientific
2-(4-Bromophenyl)propanenitrile 95%
25g
$ 2709.00

Matrix Scientific
2-(4-Bromophenyl)propanenitrile 95%
5g
$ 903.00

Crysdot
2-(4-Bromophenyl)propanenitrile 95+%
10g
$ 545.00

Crysdot
2-(4-Bromophenyl)propanenitrile 95+%
5g
$ 277.00

Chemcia Scientific
2-(4-Bromo-phenyl)-propionitrile ＞95%
2 G
$ 150.00

American Custom Chemicals Corporation
2-(4-BROMOPHENYL)PROPANENITRILE 95.00%
5MG
$ 495.59

Ambeed
2-(4-Bromophenyl)propanenitrile 95%
5g
$ 309.00

Ambeed
2-(4-Bromophenyl)propanenitrile 95%
1g
$ 79.00

Ambeed
2-(4-Bromophenyl)propanenitrile 95%
250mg
$ 26.00

Total 8 raw suppliers

Chemical Property of 2-(4-Bromophenyl)propanenitrile

Chemical Property:

Boiling Point:293.3±15.0 °C(Predicted)
PSA：23.79000
Density:1.409±0.06 g/cm3(Predicted)
LogP:3.07618
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:208.98401
Heavy Atom Count:11
Complexity:162

Purity/Quality:

99%, ^*data from raw suppliers

2-(4-bromophenyl)propanenitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Bromophenyl)propanenitrile

There total 17 articles about 2-(4-Bromophenyl)propanenitrile 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: 91.0%

: 16532-79-9
4-Bromophenylacetonitrile

: 74-88-4
methyl iodide

: 42186-06-1
2-(4-Bromophenyl)propionitrile

Guidance literature:: 4-Bromophenylacetonitrile; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; for 1h; Inert atmosphere;
DOI:10.1021/jacs.5b02810

Reference yield: 90.0%

: 7677-24-9
trimethylsilyl cyanide

: 5391-88-8
1-(4-bromophenyl)ethanol

: 42186-06-1
2-(4-Bromophenyl)propionitrile

Guidance literature:: With tris(pentafluorophenyl)borate; In acetonitrile; at 20 ℃; for 1.16667h;
DOI:10.1016/j.tet.2009.03.073

Reference yield: 75.0%

: 16532-79-9
4-Bromophenylacetonitrile

: 124-38-9,18923-20-1
carbon dioxide

: 42186-06-1
2-(4-Bromophenyl)propionitrile

Guidance literature:: With trimethylamine-borane; 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; potassium tert-butylate; In 1,2-dimethoxyethane; at 120 ℃; for 16h; Sealed tube;
DOI:10.1021/acs.joc.9b01587