| | Identification | More |  | [Name] 
 ETHYL ISOCYANATOACETATE
 |  | [CAS] 
 2949-22-6
 |  | [Synonyms] 
 CARBETHOXYMETHYL ISOCYANATE
 ETHYL 2-ISOCYANATOACETATE
 ETHYL ISOCYANATOACETATE
 ISOCYANATOACETIC ACID ETHYL ESTER
 Ethoxycarbonylmethyl isocyanate
 ethoxycarbonylmethylisocyanate
 Ethyl 2-isocyanotoacetate
 ethylglycolateisocyanate
 isocyanato-aceticaciethylester
 Isocyanatoethyl acetate
 2-Isocyanatoacetic acid ethyl ester
 Ethyl isocyanatoacetate 98%
 |  | [EINECS(EC#)] 
 220-967-4
 |  | [Molecular Formula] 
 C5H7NO3
 |  | [MDL Number] 
 MFCD00002040
 |  | [Molecular Weight] 
 129.11
 |  | [MOL File] 
 2949-22-6.mol
 | 
 | Chemical Properties | Back Directory |  | [Appearance] 
 Clear colorless liquid
 |  | [Boiling point ] 
 67-68 °C/11 mmHg (lit.)
 |  | [density ] 
 1.151 g/mL at 25 °C(lit.)
 
 |  | [refractive index ] 
 n20/D 1.422(lit.)
 
 |  | [Fp ] 
 163 °F
 
 |  | [storage temp. ] 
 Keep in dark place,Inert atmosphere,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
 |  | [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)
 | 
 | Safety Data | Back Directory |  | [Hazard Codes ] 
 Xn,Xi
 |  | [Risk Statements ] 
 R36/37/38:Irritating to eyes, respiratory system and skin .
 R42:May cause sensitization by inhalation.
 |  | [Safety Statements ] 
 S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
 S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
 S36:Wear suitable protective clothing .
 |  | [RIDADR ] 
 2206
 |  | [WGK Germany ] 
 3
 
 |  | [RTECS ] 
 AI4450000
 
 |  | [F ] 
 21
 |  | [TSCA ] 
 Yes
 |  | [HazardClass ] 
 6.1
 |  | [PackingGroup ] 
 III
 |  | [HS Code ] 
 29291000
 | 
 | Hazard Information | Back Directory |  | [Hazard] 
 Moderately toxic by ingestion and inhalation.
 |  | [Chemical Properties] 
 Clear colorless liquid
 |  | [Uses] 
 6-(carboxymethylureido)-(±)-nicotine (CMUNic)was prepared by using ethyl isocyanatoacetate. Ethyl isocyanatoacetate has been used in the preparation of 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.
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