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:
Molecular Weight:
196.04
Beilstein/REAXYS Number:
636717
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
assay
99%
form
solid
mp
115-117 °C (lit.)
functional group
bromo
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
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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.
signalword
Danger
hcodes
Hazard Classifications
Resp. Sens. 1 - Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk_germany
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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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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