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About This Item
Linear Formula:
BrCH=C(CH3)CN
CAS Number:
Molecular Weight:
145.99
UNSPSC Code:
12352100
MDL number:
NACRES:
NA.22
PubChem Substance ID:
Assay:
98%
InChI
1S/C4H4BrN/c1-4(2-5)3-6/h2H,1H3/b4-2+
SMILES string
C\C(=C/Br)C#N
InChI key
VAVDVRKEPBGVMB-DUXPYHPUSA-N
assay
98%
refractive index
n20/D 1.496 (lit.)
density
1.51 g/mL at 25 °C (lit.)
functional group
bromo, nitrile
General description
3-Bromo-2-methylacrylonitrile reacts with various alkyl bromides in the presence of bistributyltin to yield the corresponding allylated and vinylated products.
signalword
Danger
hcodes
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
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
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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