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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

Signal Word

Danger

Hazard Statements

H301,H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

159.8 °F - closed cup

Flash Point(C)

71 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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