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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

Fos induction in the brain of mice exhibiting behavioral abnormalities following administration of allylnitrile or crotononitrile.

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

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)

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Global Trade Item Number

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