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259969

Sigma-Aldrich

2-Bromophenylacetonitrile

97%

Synonym(s):

2-Bromobenzyl cyanide

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About This Item

Linear Formula:
BrC6H4CH2CN
CAS Number:
19472-74-3
Molecular Weight:
196.04
EC Number:
243-091-4
MDL number:
MFCD00001896
UNSPSC Code:
12352100
PubChem Substance ID:
24855445
NACRES:
NA.22

Quality Level

200

assay

97%

refractive index

n20/D 1.5696 (lit.)

bp

140-141 °C/13 mmHg (lit.)

mp

1 °C (lit.)

density

1.51 g/mL at 25 °C (lit.)

SMILES string

Brc1ccccc1CC#N

InChI

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

InChI key

BVCOJESIQPNOIF-UHFFFAOYSA-N

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Application

2-Bromophenylacetonitrile has been used in the preparation of:
  • 2-(2-bromophenyl)ethylamine
  • (Z)-2-(2-bromophenyl)-3-(1H-pyrrol-2-yl)acrylonitrile

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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’.

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Formation of a carbon-nitrogen bond via a 5-exo-trig radical cyclization onto the nitrogen of an imidate ester.
McClure CK ,et al.
Tetrahedron, 54(25), 7121-7126 (1998)

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