238627

Ethyl isocyanatoacetate

95%

• Linear Formula: OCNCH₂COOCH₂CH₃
• CAS Number: 2949-22-6
• Molecular Weight: 129.11
• Beilstein/REAXYS Number: 970503
• EC Number: 220-967-4
• MDL number: MFCD00002040
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854337
• NACRES: NA.22

Properties

• assay: 95%
• form: liquid
• impurities: <5% N-(chloroformyl)glycine ethyl ester
• refractive index: n20/D 1.422 (lit.)
• bp: 67-68 °C/11 mmHg (lit.)
• density: 1.151 g/mL at 25 °C (lit.)
• functional group: amine
• SMILES string: CCOC(=O)CN=C=O
• InChI: 1S/C5H7NO3/c1-2-9-5(8)3-6-4-7/h2-3H2,1H3
• InChI key: DUVOZUPPHBRJJO-UHFFFAOYSA-N

Description

Application

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 Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302,H315,H317,H319,H334,H335
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 161.6 °F - closed cup
• flash_point_c: 72 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter