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109231

Sigma-Aldrich

3-Bromopropionitrile

≥98.0% (GC)

Synonym(s):

3-Bromopropanenitrile

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About This Item

Linear Formula:
BrCH2CH2CN
CAS Number:
Molecular Weight:
133.97
Beilstein:
1738565
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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.)

SMILES string

BrCCC#N

InChI

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

InChI key

CQZIEDXCLQOOEH-UHFFFAOYSA-N

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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

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 2 Oral

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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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