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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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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)
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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
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Frontiers in plant science, 11, 257-257 (2020-03-27)
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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
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