Ethyl isocyanatoacetate

ALDRICH/238627 - 95%

CAS Number: 2949-22-6
Empirical Formula (Hill Notation): C₅H₇NO₃
Molecular Weight: 129.11
EC Number: 220-967-4
MDL Number: MFCD00002040
Linear Formula: OCNCH₂COOCH₂CH₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-238627-5G	5 g	$83.90 1/EA		Add To Favorites
45-238627-10G	10 g	$156.00 1/EA		Add To Favorites
45-238627-50G	50 g	$601.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	95%
bp	67-68 °C/11 mmHg (lit.)
density	1.151 g/mL at 25 °C (lit.)
form	liquid
impurities	<5% N-(chloroformyl)glycine ethyl ester
InChI	1S/C5H7NO3/c1-2-9-5(8)3-6-4-7/h2-3H2,1H3
InChI key	DUVOZUPPHBRJJO-UHFFFAOYSA-N
Quality Level	200
refractive index	n20/D 1.422 (lit.)
SMILES string	CCOC(=O)CN=C=O

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
Packaging:	5, 10, 50 g in glass bottle

Symbol	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
Risk Statements	36/37/38-42
Safety Statements	23-26-36
RIDADR	UN 3334
WGK Germany	WGK 3
Flash Point(F)	161.6 °F - closed cup
Flash Point(C)	72 °C - closed cup

Purity	95%
bp	67-68 °C/11 mmHg (lit.)
Density	1.151 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.422 (lit.)
UNSPSC	12352100

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