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Substance Name: Ethoxymethylenemalononitrile
RN: 123-06-8
UNII: 91PS2PWB1Q
InChIKey: OEICGMPRFOJHKO-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-N2-O

Molecular Weight

  • 122.126
 
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Names and Synonyms

Name of Substance

  • Ethoxymethylenemalononitrile

Synonyms

  • (Ethoxymethylene)malononitrile
  • (Ethoxymethylene)propanedinitrile
  • 2-Cyano-3-ethoxyacrylonitrile
  • 4-03-00-01194 (Beilstein Handbook Reference)
  • AI3-28939
  • BRN 1634241
  • EINECS 204-597-0
  • Ethoxymethylene malononitrile
  • NSC 27792
  • UNII-91PS2PWB1Q
  • USAF A-9230
  • USAF KF-10

Systematic Names

  • Ethoxymethylenemalononitrile
  • Malononitrile, (ethoxymethylene)-
  • Propanedinitrile, (ethoxymethylene)-
  • Propanedinitrile, 2-(ethoxymethylene)-

Registry Numbers

CAS Registry Number

  • 123-06-8

FDA UNII

  • 91PS2PWB1Q

Other Registry Number

  • 1220632-37-0

System Generated Number

  • 0000123068

Structure Descriptors

InChI

1S/C6H6N2O/c1-2-9-5-6(3-7)4-8/h5H,2H2,1H3

InChIKey

OEICGMPRFOJHKO-UHFFFAOYSA-N

Smiles

N#C\C(C#N)=C/OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 66 deg C   EXP
log P (octanol-water) 0.130 (none)   EST
Atmospheric OH Rate Constant 9.07E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.