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HomeProduct name listEthyl Isocyanatoacetate

Ethyl Isocyanatoacetate

  • CAS NO.:2949-22-6
  • Empirical Formula: C5H7NO3
  • Molecular Weight: 129.11
  • MDL number: MFCD00002040
  • EINECS: 220-967-4
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-04-23 09:40:00
Ethyl Isocyanatoacetate Structural

What is Ethyl Isocyanatoacetate?

Chemical properties

Clear colorless liquid

The Uses of Ethyl Isocyanatoacetate

Ethyl isocyanate is a carboxylate organic compound and can be used in various chemial synthesis.
Ethyl isocyanatoacetate has been used in the preparation of:
6-(carboxymethylureido)-(±)-nicotine (CMUNic), nicotine immunogen
ethyl 8-carbamoyl-4-oxo-3,4-dihydroimidazo[5,1-d]-1,2,3,5-tetrazin-3-ylacetate
imidazo[1,2-c]-quinazoline-2,5-(3H,6H)dione

Hazard

Moderately toxic by ingestion and inhalation.

Properties of Ethyl Isocyanatoacetate

Boiling point: 67-68 °C/11 mmHg (lit.)
Density  1.151 g/mL at 25 °C (lit.)
refractive index  n20/D 1.422(lit.)
Flash point: 163 °F
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
form  Liquid
color  Clear colorless
Specific Gravity 1.151
Water Solubility  Reacts with water.
Sensitive  Moisture Sensitive
BRN  970503
InChI InChI=1S/C5H7NO3/c1-2-9-5(8)3-6-4-7/h2-3H2,1H3
CAS DataBase Reference 2949-22-6(CAS DataBase Reference)
EPA Substance Registry System Acetic acid, isocyanato-, ethyl ester (2949-22-6)

Safety information for Ethyl Isocyanatoacetate

Signal word Danger
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
ghs
Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H334:Sensitisation, respiratory
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Ethyl Isocyanatoacetate

InChIKey DUVOZUPPHBRJJO-UHFFFAOYSA-N
SMILES C(OCC)(=O)CN=C=O

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