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252522

Crotononitrile, mixture of cis and trans

Name: Crotononitrile, mixture of <I>cis</I> and <I>trans</I>
Brand: ALDRICH

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

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24855216

EC Number:

225-335-1

Beilstein/REAXYS Number:

1719747

MDL number:

MFCD00001935

Assay:

99%

Form:

liquid

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Properties

Quality Level

100

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

Description

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

GHS02,GHS07

signalword

Danger

hcodes

H225,H302,H315,H319,H335

pcodes

P210 - P233 - P240 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338

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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Comparison of cis- and trans-crotononitrile effects in the rat reveals specificity in the neurotoxic properties of nitrile isomers.

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

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)

Differential role of CYP2E1-mediated metabolism in the lethal and vestibulotoxic effects of cis-crotononitrile in the mouse.

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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Global Trade Item Number

SKU	GTIN
252522-100ML	04061825973425
252522-500ML	04061836826017
252522-5ML	04061825973432