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Ethyl isocyanoacetate, 98%

Catalog No. p-7046629
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Catalog No. Quantity
AAL1537903 1 g
AAL1537906 5 g
AAL1537914 25 g
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Catalog No. AAL1537903

Supplier: Thermo Scientific Chemicals L1537903

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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.

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-]

Specifications

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
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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

RUO – Research Use Only