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Ethyl (ethoxymethylene)cyanoacetate Structure

Ethyl (ethoxymethylene)cyanoacetate

  • Product NameEthyl (ethoxymethylene)cyanoacetate
  • CAS94-05-3
  • CBNumberCB9758865
  • MFC8H11NO3
  • MW169.18
  • EINECS202-299-5
  • MDL NumberMFCD00009136
  • MOL File94-05-3.mol

Chemical Properties

Melting point: 49-51 °C(lit.)
Boiling point: 190-191 °C30 mm Hg(lit.)
Density  1.2435 (rough estimate)
refractive index  1.5100 (estimate)
Flash point: >230 °F
storage temp.  Inert atmosphere,Room Temperature
solubility  Chloroform, Methanol
form  Crystalline Mass or Crystals
color  White to yellow
Water Solubility  <0.01 g/L (20 ºC)
BRN  878814
InChI 1S/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3/b7-6+
InChIKey KTMGNAIGXYODKQ-VOTSOKGWSA-N
SMILES CCO\C=C(/C#N)C(=O)OCC
LogP 1.376 at 25℃
CAS DataBase Reference 94-05-3(CAS DataBase Reference)
NIST Chemistry Reference 2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester(94-05-3)
EPA Substance Registry System 2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester (94-05-3)

Safety

Symbol(GHS) 
GHS06,GHS08
Signal word  Danger
Hazard statements  H301-H315-H317-H319-H334-H335
Precautionary statements  P261-P284-P301+P310a-P305+P351+P338-P405-P501a
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xi,T,Xn
Risk Statements  36/37/38-42/43-41-37/38-22
Safety Statements  26-37/39
RIDADR  3276
WGK Germany  1
Hazard Note  Toxic
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  III
HS Code  29269090
Storage Class 11 - Combustible Solids
NFPA 704:
1
2 0

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