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Merck
CN

516112

Cyclopropylacetonitrile

97%

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About This Item

Linear Formula:
C3H5CH2CN
CAS Number:
Molecular Weight:
81.12
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
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Quality Level

assay

97%

refractive index

n20/D 1.4235 (lit.)

bp

142-144 °C (lit.)

density

0.878 g/mL at 25 °C (lit.)

functional group

nitrile

SMILES string

N#CCC1CC1

InChI

1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2

InChI key

FAUQRRGKJKMEIW-UHFFFAOYSA-N



pictograms

Flame

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

111.0 °F - closed cup

flash_point_c

43.89 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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Phyllis A Leber et al.
Molecules (Basel, Switzerland), 19(2), 1527-1543 (2014-01-30)
The title compound 1-exo (with minor amounts of its C8 epimer 1-endo) was prepared by Wolff-Kishner reduction of the cycloadduct of 1,3-cyclohexadiene and cyclopropylketene. The [1,3]-migration product 2-endo was synthesized by efficient selective cyclopropanation of endo-5-vinylbicyclo[2.2.2]oct-2-ene at the exocyclic π-bond.
Charles E Mowbray et al.
Journal of medicinal chemistry, 58(24), 9615-9624 (2015-11-17)
Visceral leishmaniasis is a severe parasitic disease that is one of the most neglected tropical diseases. Treatment options are limited, and there is an urgent need for new therapeutic agents. Following an HTS campaign and hit optimization, a novel series
The Synthesis of Methyl Cyclopropylacetate by Palladium (II) Acetate Catalysed Reaction Of Diazomethane with Vinyl Group.
Basnak I, et al.
Synthetic Communications, 22(5), 773-782 (1992)



Global Trade Item Number

SKUGTIN
516112-5G04061836821135