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Merck
CN

109231

3-Bromopropionitrile

≥98.0% (GC)

Synonym(s):

3-Bromopropanenitrile

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About This Item

Linear Formula:
BrCH2CH2CN
CAS Number:
2417-90-5
Molecular Weight:
133.97
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846898
EC Number:
219-332-4
Beilstein/REAXYS Number:
1738565
MDL number:
MFCD00001951

Key Documents

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Product Name

3-Bromopropionitrile, ≥98.0% (GC)

InChI key

CQZIEDXCLQOOEH-UHFFFAOYSA-N

InChI

1S/C3H4BrN/c4-2-1-3-5/h1-2H2

SMILES string

BrCCC#N

assay

≥98.0% (GC)

refractive index

n20/D 1.481 (lit.)

bp

76-78 °C/10 mmHg (lit.)

density

1.615 g/mL at 25 °C (lit.)

functional group

bromo
nitrile

Quality Level

200

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Application

3-Bromopropionitrile was used as the initiator in the atom transfer radical polymerization of acrylonitrile. 3-Bromopropionitrile was used in coupling reactions of a number of aromatic and heteroaromatic phenols with alkyl, acyl or benzoyl halides in acetonitrile with cesium fluoride-Celite.

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H300

Hazard Classifications

Acute Tox. 2 Oral

Storage Class

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

wgk

WGK 3

flash_point_f

206.6 °F - closed cup

flash_point_c

97 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCK7551
BCCJ6936
BCCJ6935
BCCH6477
BCCD7317

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Cesium fluoride-Celite: a solid base for efficient syntheses of aromatic esters and ethers.
Shah STA, et al.
Tetrahedron, 61(27), 6652-6656 (2005)
Preparation of polyacrylonitrile with improved isotacticity and low polydispersity.
Jiang J, et al.
Journal of Applied Polymer Science, 116(5), 2610-2616 (2010)

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