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1558-82-3
???:
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???(??):
??N-??????????
???:
Ethyl N-cyanoethanimideate
???(??):
(E)-Ethyl N-cyanoacetiMidate;Cyanoethyl ester;CYANO ETHYL ACETAMIDATE;Ethyl N-cyanoacetiMidate;ETHYLN-CYANOACETOIMIDATE;ethyl N-cyanoethanimidoate;Ethyl N-cyanoethanimideate;ETHYL N-CYANO ETHANIMIDATE;Ethyl (E)-N-cyanoacetimidate;N-Cyanoethylimine ethyl ester
CBNumber:
CB8682134
???:
C5H8N2O
??? ??:
112.13
MOL ??:
1558-82-3.mol

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???
78-81 °C(Solv: ethyl ether (60-29-7))
?? ?
133.2±23.0 °C(Predicted)
??
0.94
???
1.45
???
34°
?? ??
2-8°C
?? ?? (pKa)
-2.94±0.50(Predicted)
??
Colorless to light yellow Liquid
InChI
InChI=1S/C5H8N2O/c1-3-8-5(2)7-4-6/h3H2,1-2H3
InChIKey
PLVWUINOWYHRAA-UHFFFAOYSA-N
SMILES
C(=NC#N)(OCC)C
CAS ??????
1558-82-3(CAS DataBase Reference)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
????(UN No.) UN3273
HS ?? 2926.90.5050
?? ?? 3, 6.1
???? ?? 2014-3-5916
????(GHS): Flame (GHS02)
?? ?: Warning
??·?? ??:
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H226 ??? ?? ? ?? ??? ?? ?? 3 ??
??????:
P210 ?·???·??·????? ????? - ?? ???.
P261 ??·?·??·???·??·...·????? ??? ????.
P280 ????/???/???/?????? ?????.
P301+P310 ???? ?? ????(??)? ??? ????.
P302+P352 ??? ??? ??? ?? ????.
P304+P340 ???? ??? ??? ?? ??? ??? ???? ?? ??? ??? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P311 ????(??)? ??? ????.
NFPA 704
3
0 0

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To a flask equipped as in Preparation 2-6 is added 162.0 gm (1.0 mole) of ethyl orthoacetate, 42.0 gm (1.0 mole) of cyanamide, and 134.0 gm (2.0 moles) of acetic anhydride. The reaction mixture is heated to 130-140°C and the ethyl acetate and acetic acid are distilled over. The heat is removed until the initial vigorous reaction subsides and then the heat­ing is continued at 135-140°C until most of the remaining ethyl acetate and acetid acid have distilled over (approx. 1 hr). The residue is then distilled under reduced pressure to afford 100.8 gm (90%), b.p. 90-95°C (20 mm Hg).
Preparation of Ethyl N-Cyanoacetimidate

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