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252522

Sigma-Aldrich

Crotononitrile, mixture of cis and trans

99%

Synonym(s):

2-Butenenitrile, mixture of cis and trans

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About This Item

Linear Formula:
CH3CH=CHCN
CAS Number:
4786-20-3
Molecular Weight:
67.09
Beilstein:
1719747
EC Number:
225-335-1
MDL number:
MFCD00001935
UNSPSC Code:
12352100
PubChem Substance ID:
24855216
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.419 (lit.)

bp

120-121 °C (lit.)

density

0.824 g/mL at 25 °C (lit.)

SMILES string

C\C=C\C#N

InChI

1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+

InChI key

NKKMVIVFRUYPLQ-NSCUHMNNSA-N

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General description

Neurotoxic properties of crotononitrile have been investigated. Mechanism of the Baylis-Hillman reaction of crotononitrile and benzaldehyde in the presence of 1,4-diazabicyclo[2,2,2]octane (catalyst) has been investigated.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H302,H315,H319,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

60.8 °F - closed cup

Flash Point(C)

16 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Eduardo Balbuena et al.
Toxicology and applied pharmacology, 187(2), 89-100 (2003-03-22)
The neurotoxic compound crotononitrile has two isomeric forms, cis and trans. We compared the effects of these two isomers isolated by distillation from the commercially available mixture. Adult male Long-Evans rats were administered vehicle control, cis-crotononitrile (80, 100, and 120
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.
Carla Soler-Martín et al.
Toxicological sciences : an official journal of the Society of Toxicology, 96(1), 123-132 (2006-12-13)
Several nitriles have been demonstrated to cause hair cell loss in the inner ear of the rat, but the susceptibility of other species to this toxic effect has not been investigated. Adult male Swiss mice were administered (po) control vehicle
H Tanii et al.
Nihon eiseigaku zasshi. Japanese journal of hygiene, 54(2), 459-466 (1999-09-10)
Nitriles are widely used in industry as plastics, solvents, and synthetic intermediates. It has been shown that the thermal degradation of acrylonitrile-based plastics leads to the emission of a great variety of nitriles. Exposure of humans and experimental animals to
Nathan A Owston et al.
Chemical communications (Cambridge, England), (5)(5), 624-625 (2008-01-23)
The oxidation of alcohols in the presence of methanol has been achieved using a ruthenium catalyst with crotononitrile as the hydrogen acceptor.
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