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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)

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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
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
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)
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
D-L Cheng et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 42(3), 351-357 (2004-02-12)
Three strains of Bifidobacterium sp., B. pseudocatenulatum, B. adolescentis, and B. longum were studied for their ability to digest glucosinolates, sinigrin (SNG) and glucotropaeolin (GTL), in vitro. All strains digested both glucosinolates during 24-48 h cultivation, accompanied by a decline
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