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122793

Sigma-Aldrich

Allyl cyanide

98%

Synonym(s):

3-Butenenitrile, Vinylacetonitrile

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About This Item

Linear Formula:
CH2=CHCH2CN
CAS Number:
109-75-1
Molecular Weight:
67.09
Beilstein:
605352
EC Number:
203-701-1
MDL number:
MFCD00001962
UNSPSC Code:
12162002
PubChem Substance ID:
24847509
NACRES:
NA.23

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

Pictograms

FlameSkull and crossbones
GHS02,GHS06

Signal Word

Danger

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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
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
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.
Asymmetric synthesis of isothiazoles through Cu catalysis: direct catalytic asymmetric conjugate addition of allyl cyanide to α,β-unsaturated thioamides.
Yuka Yanagida et al.
Angewandte Chemie (International ed. in English), 50(34), 7910-7914 (2011-07-07)
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