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Merck
CN

144061

4-(Bromomethyl)benzonitrile

99%

Synonym(s):

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

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About This Item

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

Key Documents

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Product Name

4-(Bromomethyl)benzonitrile, 99%

InChI key

UMLFTCYAQPPZER-UHFFFAOYSA-N

InChI

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

SMILES string

BrCc1ccc(cc1)C#N

assay

99%

form

solid

mp

115-117 °C (lit.)

functional group

bromo
nitrile

Quality Level

200

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Application

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

General description

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

pictograms

Health hazardCorrosion
GHS08,GHS05

signalword

Danger

hcodes

H314,H334

Hazard Classifications

Resp. Sens. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
STBH7821
STBH5272
STBG8679
STBG3958V
STBG1584V

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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

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