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(1-ETHOXYETHYLIDENE)MALONONITRILE

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(1-ETHOXYETHYLIDENE)MALONONITRILE Basic information

Product Name:
(1-ETHOXYETHYLIDENE)MALONONITRILE
Synonyms:
  • 2-(1-Ethoxyethylidene)propanedinitrile
  • (1-Ethoxyethylidene)-malononitrile, 99+%
  • (1-Ethoxyethylidene)propane-1,3-dinitrile
  • (1-Ethoxyethylidene)Malononitrile, 99+% 25GR
  • (1-Ethoxyethylidene)Malonitrile
  • 2-Cyano-3-ethoxy-3-Methylacrylonitrile
  • NSC 11585
  • 2-(1-Ethoxyethylidene)propane-1,3-dinitrile, 2-Cyano-3-ethoxycrotononitrile
CAS:
5417-82-3
MF:
C7H8N2O
MW:
136.15
EINECS:
226-521-5
Product Categories:
  • C6 to C7
  • Cyanides/Nitriles
  • Nitrogen Compounds
  • blocks
  • BuildingBlocks
  • Carboxes
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
Mol File:
5417-82-3.mol
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(1-ETHOXYETHYLIDENE)MALONONITRILE Chemical Properties

Melting point:
90-92 °C(lit.)
Boiling point:
250.42°C (rough estimate)
Density 
1.1778 (rough estimate)
refractive index 
1.5769 (estimate)
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform, Dichloromethane
form 
Crystalline Powder and Chunks
color 
White to beige
InChI
InChI=1S/C7H8N2O/c1-3-10-6(2)7(4-8)5-9/h3H2,1-2H3
InChIKey
BOSVWXDDFBSSIZ-UHFFFAOYSA-N
SMILES
C(#N)/C(=C(/OCC)\C)/C#N
CAS DataBase Reference
5417-82-3(CAS DataBase Reference)
EPA Substance Registry System
Propanedinitrile, (1-ethoxyethylidene)- (5417-82-3)
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Safety Information

Hazard Codes 
Xn,Xi
Risk Statements 
20/21/22-36/37/38
Safety Statements 
26-28-36/37/39-45
RIDADR 
UN 3439 6.1/PG 3
WGK Germany 
3
RTECS 
TY1510000
HazardClass 
6.1(b)
PackingGroup 
III
HS Code 
29269090

MSDS

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(1-ETHOXYETHYLIDENE)MALONONITRILE Usage And Synthesis

Chemical Properties

white to beige crystalline powder and chunks

Uses

Herbicide and growth regulator.

Uses

(1-Ethoxyethylidene)malononitrile was used in the synthesis of benzyl 5-amino-4-cyano-3-methyl-1H pyrazole-1-carboxylate and 2-amino-6-mercaptopyridine-3,5-dicarbonitrile derivatives.

General Description

(1-Ethoxyethylidene)malononitrile is also referred as 2-(1-ethoxyethylidene)malononitrile.

References

[1] Tetrahedron, 2006, vol. 62, # 26, p. 6222 - 6227
[2] Patent: WO2009/62676, 2009, A2. Location in patent: Page/Page column 46-47
[3] Patent: WO2010/60589, 2010, A1. Location in patent: Page/Page column 28
[4] Patent: WO2004/78758, 2004, A1. Location in patent: Page 32; 63; 65; 70; 74; 79
[5] Patent: US2006/41128, 2006, A1. Location in patent: Page/Page column 13; 20

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