2-(Bromomethyl)benzonitrile

Base Information

Chemical Name:2-(Bromomethyl)benzonitrile
CAS No.:22115-41-9
Molecular Formula:C8H6BrN
Molecular Weight:196.046
Hs Code.:29269090
European Community (EC) Number:628-473-4
DSSTox Substance ID:DTXSID40176632
Nikkaji Number:J30.863C
Wikidata:Q72457936
Mol file:22115-41-9.mol

Synonyms:2-Cyanobenzyl bromide;2-(Bromomethyl)benzonitrile;22115-41-9;alpha-Bromo-o-tolunitrile;o-Cyanobenzyl bromide;2-cyanobenzylbromide;2-bromomethyl-benzonitrile;A-BROMO-O-TOLUNITRILE;Benzonitrile, (bromomethyl)-;Benzonitrile, 2-(bromomethyl)-;2-bromomethylbenzonitrile;alpha bromo-o-tolunitrile;2(bromomethyl)benzonitrile;MFCD00001794;182897-42-3;(2-cyanophenyl)methyl bromide;2-cyanobenzylbromid;alpha bromotolunitrile;alpha-bromotolunitrile;2-cyano-benzylbromide;2-cyano benzyl bromide;2-cyano-benzyl bromide;alpha-bromo-o-tolunitril;2-bromomethylcyanobenzene;2-bromomethyl benzonitrile;SCHEMBL899;alpha-bromo 2-cyanotoluene;.alpha.-Bromo-o-tolunitrile;.alpha.-Bromo-o-toluonitrile;2-(bromomethyl) benzonitrile;1-bromomethyl-2-cyano-benzene;o-Tolunitrile, .alpha.-bromo-;ALPHA-BROM-O-TOLUNITRILE;1-(bromomethyl)-2-cyano-benzene;DTXSID40176632;BCP08886;STR03681;STK009853;2-(Bromomethyl)benzonitrile, >=97%;AKOS000267981;AC-7183;CS-W018538;SB35518;AM20090713;FT-0622121;EN300-18144;A25106;J-014514;J-519570

Suppliers and Price of 2-(Bromomethyl)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

TCI Chemical
2-Cyanobenzyl Bromide >98.0%(GC)
10g
$ 68.00

TCI Chemical
2-Cyanobenzyl Bromide >98.0%(GC)
25g
$ 131.00

SynQuest Laboratories
2-Cyanobenzyl bromide 98%
500 g
$ 183.00

SynQuest Laboratories
2-Cyanobenzyl bromide 98%
25 g
$ 18.00

SynQuest Laboratories
2-Cyanobenzyl bromide 98%
100 g
$ 45.00

Sigma-Aldrich
2-(Bromomethyl)benzonitrile ≥97%
5g
$ 44.60

Sigma-Aldrich
2-(Bromomethyl)benzonitrile ≥97%
25g
$ 158.00

Sigma-Aldrich
2-(Bromomethyl)benzonitrile ≥97%
100g
$ 410.00

Medical Isotopes, Inc.
2-(Bromomethyl)benzonitrile
5 g
$ 355.00

Medical Isotopes, Inc.
2-(Bromomethyl)benzonitrile
1 g
$ 345.00

Total 188 raw suppliers

Chemical Property of 2-(Bromomethyl)benzonitrile

Chemical Property:

Appearance/Colour:White to light yellow crystal powder
Vapor Pressure:0.00961mmHg at 25°C
Melting Point:72-74 °C(lit.)
Refractive Index:1.588
Boiling Point:264.6 °C at 760 mmHg
Flash Point:113.8 °C
PSA：23.79000
Density:1.51g/cm³
LogP:2.45318
Storage Temp.:Store below +30°C.
Water Solubility.:Slightly soluble in water
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:194.96836
Heavy Atom Count:10
Complexity:147

Purity/Quality:

99% ^*data from raw suppliers

2-Cyanobenzyl Bromide >98.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): C
Hazard Codes:C
Statements: 34
Safety Statements: 26-36/37/39-45-28A

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CBr)C#N
Description 2-(Bromomethyl)benzonitrile reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)meth-yl]benzonitrile. It undergoes base-promoted condensation reaction with homophthalic anhydride to yield 6,11-dihydro-5H-indeno[1,2-c]isoquinolin-5-one.
Uses 2-(Bromomethyl)benzonitrile is an intermediate in the synthesis of Alogliptin, an oral antihyperglycemic agent that is a selective inhibitor of the enzyme dipeptidyl peptidase-4 (DPP-4). Antidiabetic agent. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package.

Technology Process of 2-(Bromomethyl)benzonitrile

There total 16 articles about 2-(Bromomethyl)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: 98.0%

: 529-19-1
2-Methylbenzonitrile

: 22115-41-9
2-(bromomethyl)benzonitrile

Guidance literature:: With dihydrogen peroxide; bromine; In dichloromethane; water; for 4h; Reflux;

Reference yield: 93.0%

: 2-{[(tert-butyldimethylsilyl)oxy]methyl}benzonitrile

: 22115-41-9
2-(bromomethyl)benzonitrile

Guidance literature:: With phosphorus tribromide; In dichloromethane; at 40 ℃; for 8h; Time;

Reference yield: 60.0%

: 557-21-1
dicyanozinc

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

: 22115-41-9
2-(bromomethyl)benzonitrile

Guidance literature:: With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; 1,2-Ph₂-3,4-bis(2,4,6-(t-Bu)3-phenylphophinidene)cyclobutene; zinc; In various solvent(s); at 100 ℃; for 16h;
DOI:10.1016/j.tetlet.2005.10.052