Ethyl 3-isocyanatopropionate, 98%

Description

CAS: 5100-34-5 | C6H9NO3 | 143.14 g/mol

Ethyl 3-isocyanatopropionate can be used to produce 3-[1-(2-dimethylamino-ethylcarbamoyl)-5,6-dimethyl-6H-pyrido[4,3-b]carbazol-9-yloxycarbonylamino]-propionic acid ethyl ester with 9-hydroxy-5,6-dimethyl-6H-pyrido[4,3-b]carbazole-1-carboxylic acid (2-dimethylamino-ethyl)-amide.

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 3-isocyanatopropionate can be used to produce 3-[1-(2-dimethylamino-ethylcarbamoyl)-5,6-dimethyl-6H-pyrido[4,3-b]carbazol-9-yloxycarbonylamino]-propionic acid ethyl ester with 9-hydroxy-5,6-dimethyl-6H-pyrido[4,3-b]carbazole-1-carboxylic acid (2-dimethylamino-ethyl)-amide.

Solubility
Not miscible with water.

Notes
Store at 4°C. Moisture Sensitive. Avoid moisture, heat and direct sunlight. Incompatible materials are amines, alcohols and heat. Store away from moisture and oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 5100-34-5
• Molecular Formula: C6H9NO3
• Molecular Weight (g/mol): 143.14
• MDL Number: MFCD00078461
• InChI Key: XBSGYVHOINMTIM-UHFFFAOYSA-N
• Synonym: ethyl 3-isocyanatopropionate, propanoic acid, 3-isocyanato-, ethyl ester, 3-isocyanatopropionic acid ethyl ester, ethyl n-oxomethylidene-beta-alaninate, ethyl n-oxomethylene-beta-alaninate, acmc-20akzk, ethyl-3-isocyanatopropionate, ethyl 3-isocyanato-propionate, ethyl 3-isocyanatopropion-ate, ethyl-3-isocyanato-propionate
• PubChem CID: 2733373
• IUPAC Name: ethyl 3-isocyanatopropanoate
• SMILES: CCOC(=O)CCN=C=O

• Density: 1.087
• Boiling Point: 74°C to 75°C (4 mmHg)
• Flash Point: 92°C (197°F)
• Odor: Irritating
• Refractive Index: 1.429
• Quantity: 1 g
• UN Number: UN2206
• Beilstein: 1705618
• Sensitivity: Moisture sensitive
• Solubility Information: Not miscible with water.
• Formula Weight: 143.14
• Percent Purity: 98%
• Chemical Name or Material: Ethyl 3-isocyanatopropionate

Safety and Handling

Hazard Category	H302+H312+H332
Hazard Statement	GHS H Statement H331-H334-H227-H302-H315-H319-H335 Toxic if inhaled. May cause allergy or asthma symptoms or breathing difficulties if inhaled. Combustible liquid. Harmful if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P312-P330-P363-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: ISOCYANATES, TOXIC, N.O.S.
TSCA	No
Recommended Storage	Keep cold

SDS

RUO – Research Use Only