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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:
Molecular Weight:
145.99
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

refractive index

n20/D 1.496 (lit.)

density

1.51 g/mL at 25 °C (lit.)

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

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

159.8 °F

Flash Point(C)

71 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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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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