252522
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:
Molecular Weight:
67.09
Beilstein:
1719747
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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.)
functional group
nitrile
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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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Effect of solvent, pressure and catalyst on the E/Z-selectivity in the Baylis-Hillman reaction between crotononitrile and benzaldehyde.
van Rozendaal ELM, et al.
Tetrahedron, 49(31), 6931-6936 (1993)
Pere Boadas-Vaello et al.
Toxicology and applied pharmacology, 225(3), 310-317 (2007-09-20)
Several alkylnitriles are toxic to sensory systems, including the vestibular system, through yet undefined mechanisms. This study addressed the hypothesis that the vestibular toxicity of cis-crotononitrile depends on CYP2E1-mediated bioactivation. Wild-type (129S1) and CYP2E1-null female mice were exposed to cis-crotononitrile
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
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.
Rafat M Mohareb et al.
Acta pharmaceutica (Zagreb, Croatia), 58(4), 429-444 (2008-12-24)
Condensation of beta-amino-alpha,gamma-dicyanocrotononitrile (1) with acetophenone gave 2-amino-4-phenylpenta-1,3-diene-1,1,3-tricarbonitrile (2). The latter product was used in a series of heterocyclization reactions with different reagents such as diazonium salts, hydrazines, hydroxylamines and elemental sulfur to give pyridazine, pyrazole, isoxazole and thiophene derivatives
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