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40594-97-6

40594-97-6 Structure

40594-97-6 Structure
IdentificationMore
[Name]

Ethyl cis-beta-cyanoacrylate
[CAS]

40594-97-6
[Synonyms]

ETHYL CIS-BETA-CYANOACRYLATE
ethyl cis-(β-cyano)acrylate
[Molecular Formula]

C6H7NO2
[MDL Number]

MFCD03428510
[Molecular Weight]

125.13
[MOL File]

40594-97-6.mol
Chemical PropertiesBack Directory
[Melting point ]

>300 °C(Solv: methanol (67-56-1); ethyl ether (60-29-7))
[Boiling point ]

215 °C(lit.)
[density ]

1.044 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.4530(lit.)
[Fp ]

225 °F
[storage temp. ]

2-8°C
[Appearance]

Colorless to light yellow Liquid
[InChI]

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

AMQZZSZCLSVKLO-ARJAWSKDSA-N
[SMILES]

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

40594-97-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,N
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3082 9/PG 3
[WGK Germany ]

2
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 2
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

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.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 26, p. 6, 1961 DOI: 10.1021/jo01060a002
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl cis-beta-cyanoacrylate(40594-97-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

40594-97-6(sigmaaldrich)
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