275859
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.)
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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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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