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275859

Sigma-Aldrich

3-Bromo-2-methylacrylonitrile, mixture of cis and trans

98%

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About This Item

Linear Formula:
BrCH=C(CH3)CN
CAS Number:
150163-13-6
Molecular Weight:
145.99
MDL number:
MFCD00010382
UNSPSC Code:
12352100
PubChem Substance ID:
24856675
NACRES:
NA.22

assay

98%

refractive index

n20/D 1.496 (lit.)

density

1.51 g/mL at 25 °C (lit.)

functional group

bromo
nitrile

SMILES string

C\C(=C/Br)C#N

InChI

1S/C4H4BrN/c1-4(2-5)3-6/h2H,1H3/b4-2+

InChI key

VAVDVRKEPBGVMB-DUXPYHPUSA-N

General description

3-Bromo-2-methylacrylonitrile reacts with various alkyl bromides in the presence of bistributyltin to yield the corresponding allylated and vinylated products.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

159.8 °F - closed cup

flash_point_c

71 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
04518MI
02023ML

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Direct free-radical substitutions on allyl and vinyl halides using alkyl halides/hexabutylditin.
Huval CC and Singleton DA.
Tetrahedron Letters, 34(19), 3041-3042 (1993)

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