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Merck
CN

567663

Ethyl cis-(β-cyano)acrylate

97%

Synonym(s):

Ethyl (Z )-3-cyano-2-propenoate, Ethyl cis -β-cyanoacrylate, Ethyl cis-β-cyanoacrylate, Ethyl cis-3-cyanoacrylate

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About This Item

Linear Formula:
NCCH=CHCO2C2H5
CAS Number:
40594-97-6
Molecular Weight:
125.13
NACRES:
NA.23
PubChem Substance ID:
24880383
UNSPSC Code:
12162002
MDL number:
MFCD03428510

Key Documents

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InChI

1S/C6H7NO2/c1-2-9-6(8)4-3-5-7/h3-4H,2H2,1H3/b4-3-

SMILES string

[H]\C(C#N)=C(/[H])C(=O)OCC

InChI key

AMQZZSZCLSVKLO-ARJAWSKDSA-N

assay

97%

refractive index

n20/D 1.4530 (lit.)

bp

215 °C (lit.)

density

1.044 g/mL at 25 °C (lit.)

Related Categories

Application

Ethyl cis-β-cyanoacrylate behaves as a dienophile in the synthesis of indeno[2,1-a]pyrrolo[3,4-c]carbazole lactam regioisomers via Diels-Alder reaction.

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

Hazard Classifications

Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

225.0 °F - closed cup

flash_point_c

107.2 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
07631TH
09020PH
09405HA

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Synthesis of indeno [2, 1?a] pyrrolo [3, 4?c] carbazole lactam regioisomers using ethyl cis???cyanoacrylate as a dienophile and lactam precursor.
Hudkins RL and Park CH
Journal of Heterocyclic Chemistry, 40(1), 135-142 (2003)

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