122793
Allyl cyanide
98%
Synonym(s):
3-Butenenitrile, Vinylacetonitrile
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All Photos(2)
About This Item
Linear Formula:
CH2=CHCH2CN
CAS Number:
Molecular Weight:
67.09
Beilstein:
605352
EC Number:
MDL number:
UNSPSC Code:
12162002
PubChem Substance ID:
NACRES:
NA.23
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Quality Level
Assay
98%
autoignition temp.
851 °F
refractive index
n20/D 1.405 (lit.)
bp
116-121 °C (lit.)
density
0.834 g/mL at 25 °C (lit.)
SMILES string
C=CCC#N
InChI
1S/C4H5N/c1-2-3-4-5/h2H,1,3H2
InChI key
SJNALLRHIVGIBI-UHFFFAOYSA-N
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Acute Tox. 4 Dermal - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
75.2 °F - closed cup
Flash Point(C)
24 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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E Balbuena et al.
Brain research, 904(2), 298-306 (2001-06-19)
Animals exposed to allylnitrile develop permanent abnormalities in motor behaviour, similar to those caused by 3,3'-iminodipropionitrile (IDPN) and crotononitrile. IDPN and crotononitrile effects have been attributed to vestibular hair cell degeneration, but allylnitrile has been suggested to modify behaviour through
Ryo Yazaki et al.
Journal of the American Chemical Society, 132(15), 5522-5531 (2010-03-27)
We report that a hard Lewis base substantially affects the reaction efficiency of direct catalytic asymmetric gamma-addition of allyl cyanide (1a) to ketones promoted by a soft Lewis acid/hard Brønsted base catalyst. Mechanistic studies have revealed that Cu/(R,R)-Ph-BPE and Li(OC(6)H(4)-p-OMe)
Katja Witzel et al.
PloS one, 8(9), e71877-e71877 (2013-09-17)
The soil-borne fungal pathogen Verticillium longisporum is able to penetrate the root of a number of plant species and spread systemically via the xylem. Fumigation of Verticillium contaminated soil with Brassica green manure is used as an environmentally friendly method
Ryo Yazaki et al.
Journal of the American Chemical Society, 130(44), 14477-14479 (2008-10-11)
Direct catalytic asymmetric addition of allylic cyanides to N-diphenylphosphinoyl ketoimines with a bimetallic catalytic system comprising Ph-BPE/[Cu(CH3CN)4]ClO4/LiOAr is described. Intermediary alpha-adducts readily isomerized to afford synthetically useful alpha,beta-unsaturated nitriles bearing an optically active tetrasubstituted carbon. Applicability to aromatic, heteroaromatic, and
J Llorens et al.
Toxicology and applied pharmacology, 123(2), 199-210 (1993-12-01)
Animals exposed to 3,3'-iminodipropionitrile (IDPN) or to several similar nitriles develop a permanent syndrome of behavioral abnormalities. The present work addressed the hypothesis that this syndrome is caused by a toxic effect of these nitriles on the peripheral vestibular system.
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