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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
225-335-1
Beilstein/REAXYS Number:
1719747
MDL number:
Assay:
99%
Form:
liquid
InChI key
NKKMVIVFRUYPLQ-NSCUHMNNSA-N
InChI
1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+
SMILES string
C\C=C\C#N
assay
99%
form
liquid
Quality Level
bp
120-121 °C (lit.)
density
0.824 g/mL at 25 °C (lit.)
functional group
nitrile
Related Categories
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.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
60.8 °F - closed cup
flash_point_c
16 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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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
H Tanii et al.
Brain research, 868(1), 141-146 (2000-06-08)
Allylnitrile and crotononitrile induce behavioral abnormalities in mice. To explore the possible involvement of the vestibular system in these behavioral abnormalities, the expression of Fos protein, used as an indicator of neuronal activity, was examined within various brain structures in
X P Zang et al.
Archives of toxicology, 73(1), 22-32 (1999-04-20)
A single dose of allylnitrile in mice might induce persistent behavioral abnormalities, of which the mechanism is not yet known. The present study was undertaken to explore the relationship between behavioral abnormalities and pathological changes in the brain of mice
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
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