Ethyl Isocyanatoacetate , >97.0%(GC) , 2949-22-6

CAS NO.：2949-22-6

Empirical Formula: C5H7NO3

Molecular Weight: 129.11

MDL number: MFCD00002040

EINECS: 220-967-4

PRODUCT Properties

• 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
• Specific Gravity: 1.151
• color: Clear colorless
• 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
• InChIKey: DUVOZUPPHBRJJO-UHFFFAOYSA-N
• SMILES: C(OCC)(=O)CN=C=O
• CAS DataBase Reference: 2949-22-6(CAS DataBase Reference)
• EPA Substance Registry System: Acetic acid, isocyanato-, ethyl ester (2949-22-6)

Description and Uses

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

Safety

• Symbol(GHS): GHS07,GHS08
• Signal word: Danger
• Hazard statements: H302-H315-H317-H319-H334-H335
• Precautionary statements: P280-P301+P312+P330-P302+P352-P305+P351+P338
• Hazard Codes: Xn,Xi
• Risk Statements: 36/37/38-42
• Safety Statements: 23-26-36
• RIDADR: 2206
• WGK Germany: 3
• RTECS: AI4450000
• F: 21
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29291000
• Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
• Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)