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Merck
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Key Documents

8.00258

Sigma-Aldrich

Allyl cyanide

for synthesis

Synonym(s):

Allyl cyanide, 3-Butenenitrile, Vinylacetonitrile

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About This Item

Linear Formula:
CH2=CHCH2CN
CAS Number:
109-75-1
Molecular Weight:
67.09
MDL number:
MFCD00001962
UNSPSC Code:
12352117
EC Index Number:
203-701-1
NACRES:
NA.22

Quality Level

200

Assay

≥98.0% (GC)

form

liquid

autoignition temp.

455 °C

potency

115 mg/kg LD50, oral (Rat)
1170 mg/kg LD50, skin (Rabbit)

mp

-87 °C

transition temp

flash point 23 °C

density

0.83 g/cm3 at 25 °C

storage temp.

2-8°C

InChI

1S/C4H5N/c1-2-3-4-5/h2H,1,3H2

InChI key

SJNALLRHIVGIBI-UHFFFAOYSA-N

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.830 - 0.835
Identity (IR): passes test

Pictograms

FlameSkull and crossbones
GHS02,GHS06

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Acute Tox. 4 Dermal - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

75.2 °F - closed cup

Flash Point(C)

24 °C - closed cup

Certificates of Analysis (COA)

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