Ethyl isocyanoacetate, 98%

Description

CAS: 2999-46-4 | C5H7NO2 | 113.12 g/mol

Ethyl isocyanoacetate is used in the syntheses of 7-aza-tetrahydroindoles, oxazolines, benzodiazepines, imidazoles and oxazoles. For example, it is involved in the synthesis of 1H-indole-2-carboxylate by condensing with 2-bromo benzenealdehyde using CuI as a catalyst. It is a precursor used in the preparation of ethyl thiazole-4-carboxylate upon reaction with O-ethyl thioformate.

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
Ethyl isocyanoacetate is used in the syntheses of 7-aza-tetrahydroindoles, oxazolines, benzodiazepines, imidazoles and oxazoles. For example, it is involved in the synthesis of 1H-indole-2-carboxylate by condensing with 2-bromo benzenealdehyde using CuI as a catalyst. It is a precursor used in the preparation of ethyl thiazole-4-carboxylate upon reaction with O-ethyl thioformate.

Solubility
Miscible with organic solvents. Slightly miscible with water.

Notes
Store in cool place. Moisture and light sensitive. Keep the container tightly closed in a dry and well-ventilated place. Incompatible with strong oxidizing agents and strong bases.

Specifications

Chemical Identifiers

• CAS: 2999-46-4
• Molecular Formula: C5H7NO2
• Molecular Weight (g/mol): 113.12
• MDL Number: MFCD00000007
• InChI Key: FPULFENIJDPZBX-UHFFFAOYSA-N
• Synonym: ethyl isocyanoacetate, isocyanoacetic acid ethyl ester, ethylisocyanoacetate, acetic acid, 2-isocyano-, ethyl ester, acetic acid, isocyano-, ethyl ester, ethyl iso-cyanoacetate, ethyl isocyano-acetate, pubchem2345, ethyl 2-isocyanoacetat
• PubChem CID: 533707
• IUPAC Name: ethyl 2-isocyanoacetate
• SMILES: CCOC(=O)C[N+]#[C-]

• Density: 1.035
• Boiling Point: 194°C to 196°C
• Flash Point: 84°C (183°F)
• Refractive Index: 1.422
• Quantity: 1 g
• UN Number: UN2810
• Beilstein: 3588613
• Sensitivity: Light and moisture sensitive
• Solubility Information: Miscible with organic solvents. Slightly miscible with water.
• Formula Weight: 113.12
• Percent Purity: 98%
• Chemical Name or Material: Ethyl isocyanoacetate

Safety and Handling

Hazard Category	H227-H302+H312+H332-H315-H319-H335
Hazard Statement	GHS H Statement H331-H227-H302-H312-H315-H319-H335 Toxic if inhaled. Combustible liquid. Harmful if swallowed. Harmful in contact with skin. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P210-P235-P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: TOXIC, LIQUIDS, ORGANIC, N.O.S.
EINECSNumber	221-077-9
TSCA	No
Recommended Storage	Keep cold

SDS

RUO – Research Use Only