3-(2-Bromophenyl)propanenitrile

Base Information

Chemical Name:3-(2-Bromophenyl)propanenitrile
CAS No.:61698-07-5
Molecular Formula:C9H8BrN
Molecular Weight:210.073
Hs Code.:
DSSTox Substance ID:DTXSID80536155
Wikidata:Q82410731
Mol file:61698-07-5.mol

Synonyms:3-(2-BROMOPHENYL)PROPANENITRILE;61698-07-5;Benzenepropanenitrile, 2-bromo-;Benzenepropanenitrile,2-broMo-;SCHEMBL1459814;DTXSID80536155;SZLHFTWIJCWDER-UHFFFAOYSA-N;MFCD09836151;AKOS010643887;AT28728;CS-0262926;EN300-84311;A18988;Z815260584

Suppliers and Price of 3-(2-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
3-(2-bromophenyl)propanenitrile
100mg
$ 220.00

American Custom Chemicals Corporation
3-(2-BROMOPHENYL)PROPANENITRILE 95.00%
5MG
$ 505.65

AK Scientific
3-(2-Bromophenyl)propanenitrile
10g
$ 2500.00

AK Scientific
3-(2-Bromophenyl)propanenitrile
500mg
$ 519.00

Abosyn
3-(2-bromophenyl)propanenitrile 95%-98%
1g
$ 310.00

Total 9 raw suppliers

Chemical Property of 3-(2-Bromophenyl)propanenitrile

Chemical Property:

PSA：23.79000
LogP:2.90528
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:208.98401
Heavy Atom Count:11
Complexity:158

Purity/Quality:

97% ^*data from raw suppliers

3-(2-bromophenyl)propanenitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 3-(2-Bromophenyl)propanenitrile

There total 10 articles about 3-(2-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: 88.0%

: 178809-30-8
3-(2-bromo-phenyl)-acrylonitrile

: 61698-07-5
3-(2-bromo-phenyl)-propionitrile

Guidance literature:: With sodium tetrahydroborate; In methanol; 1,2-dimethoxyethane; at 70 ℃; for 15h;
DOI:10.1016/0040-4020(96)00266-9

Reference yield: 52.0%

: 75-05-8,26809-02-9
acetonitrile

: 3433-80-5
1-Bromo-2-bromomethyl-benzene

: 61698-07-5
3-(2-bromo-phenyl)-propionitrile

Guidance literature:: acetonitrile; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h;

1-Bromo-2-bromomethyl-benzene; In tetrahydrofuran; at -78 ℃; for 1h;

Reference yield: 50.0%

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

: 88-65-3
2-bromobenzoic-acid

: 61698-07-5
3-(2-bromo-phenyl)-propionitrile

Guidance literature:: With biphenyl; naphthalene-1,4-dicarbonitrile; sodium hydroxide; In water; acetonitrile; at 30 ℃; for 3h; Inert atmosphere; UV-irradiation;
DOI:10.1021/acs.joc.0c00055