Skip to Content
Merck
All Photos(1)

Documents

144061

Sigma-Aldrich

4-(Bromomethyl)benzonitrile

99%

Synonym(s):

α-Bromo-p-tolunitrile, 4-Cyanobenzyl bromide

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
BrCH2C6H4CN
CAS Number:
17201-43-3
Molecular Weight:
196.04
Beilstein:
636717
EC Number:
241-246-0
MDL number:
MFCD00001829
UNSPSC Code:
12352100
PubChem Substance ID:
24848627
NACRES:
NA.22

Quality Level

200

Assay

99%

form

solid

mp

115-117 °C (lit.)

SMILES string

BrCc1ccc(cc1)C#N

InChI

1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2

InChI key

UMLFTCYAQPPZER-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Related Categories

General description

4-(Bromomethyl)benzonitrile reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile.

Application

4-(Bromomethyl)benzonitrile may be used in the synthesis of ligands containing a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile.

Pictograms

Health hazardCorrosion
GHS08,GHS05

Signal Word

Danger

Hazard Statements

H314,H334

Hazard Classifications

Resp. Sens. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Hazel Fenton et al.
Dalton transactions (Cambridge, England : 2003), 39(16), 3805-3815 (2010-04-08)
Two ligands L(1) and L(2) have been prepared which contain a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile (in L(1), a benzonitrile; in L(2), a naphthonitrile). These ligands react with Ag(I) salts to give a range of infinite coordination
Zheng Xing et al.
Acta crystallographica. Section E, Structure reports online, 64(Pt 2), o445-o445 (2008-01-01)
The title compound, C(9)H(7)N(5), was synthesized by reaction of 4-(bromomethyl)benzonitrile and 2H-tetrazole in the presence of KOH. The relative orientation of the planar tetra-zole ring and the methyl-benzonitrile moiety is (-)-anti-clinal. The crystal packing is dominated by van der Waals

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service