Ethyl isocyanatoacetate, 98%

Description

CAS: 2949-22-6 | C5H7NO3 | 129.12 g/mol

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Reacts with water.

Notes
Moisture Sensitive.Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from moisture, water, heat.

Specifications

Chemical Identifiers

• CAS: 2949-22-6
• Molecular Formula: C5H7NO3
• Molecular Weight (g/mol): 129.12
• MDL Number: MFCD00002040
• InChI Key: DUVOZUPPHBRJJO-UHFFFAOYSA-N
• Synonym: ethyl isocyanatoacetate, isocyanatoacetic acid ethyl ester, acetic acid, isocyanato-, ethyl ester, carbethoxymethyl isocyanate, isocyanatoethyl acetate, ethoxycarbonylmethyl isocyanate, ethylisocyanatoacetate, ethyl glycolate isocyanate, ethyl n-oxomethylene glycinate, acetic acid,2-isocyanato-, ethyl ester
• PubChem CID: 76283
• IUPAC Name: ethyl 2-isocyanatoacetate
• SMILES: CCOC(=O)CN=C=O

• Density: 1.151
• Boiling Point: 66°C to 68°C (11 mmHg)
• Flash Point: 72°C (161°F)
• Odor: Pungent
• Refractive Index: 1.424
• Linear Formula: OCNCH₂CO₂CH₂CH₃
• Quantity: 25 g
• Beilstein: 970503
• Sensitivity: Moisture sensitive
• Solubility Information: Reacts with water.
• Formula Weight: 129.12
• Percent Purity: 98%
• Chemical Name or Material: Ethyl isocyanatoacetate

Safety and Handling

Hazard Category	H227-H302-H315-H317-H319-H334-H335
Hazard Statement	GHS H Statement H334-H302-H335-H227-H315-H319 May cause allergy or asthma symptoms or breathing difficulties if inhaled. Harmful if swallowed. May cause respiratory irritation. Combustible liquid. Causes skin irritation. Causes serious eye irritation.
Precautionary Statement	P210-P235-P261-P264b-P270-P271-P272-P280-P285-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P333+P313-P342+P311-P362-P370+P378q-P501c
DOTInformation	Hazard Class: 6.1; Packaging Group: III
EINECSNumber	220-967-4
RTECSNumber	AI4450000
TSCA	Yes
Recommended Storage	Keep cold

SDS

RUO – Research Use Only