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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.)

functional group

bromo
nitrile

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

Signal Word

Warning

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBS3527V
BCBR8729V
BCBL9177V
BCBB8190V
BCBB8190

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The influence of ionic liquids on the Knoevenagel condensation of 1 H-pyrrole-2-carbaldehyde with phenyl acetonitriles-cytotoxic 3-substituted-(1 H-pyrrol-2-yl) acrylonitriles.
Al Otaibi A, et al.
Royal Society of Chemistry Advances, 4(38), 19806-19813 (2014)
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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