≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488192391 |
|---|---|
| Sonrisas canónicas | CCOC(=O)CCN=C=O |
| IUPAC Name | ethyl 3-isocyanatopropanoate |
| InChIKey | XBSGYVHOINMTIM-UHFFFAOYSA-N |
| INCHI | 1S/C6H9NO3/c1-2-10-6(9)3-4-7-5-8/h2-4H2,1H3 |
| Isómeros SMILES | CCOC(=O)CCN=C=O |
| WGK Alemania | 3 |
| Peso molecular | 143.14 |
| Reaxy-Rn | 1705618 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1705618&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Clase | Organonitrogen compounds |
| Subclass | Isocyanates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isocyanates |
| Alternative Parents | Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Isocyanate - Carboxylic acid ester - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isocyanates. These are organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 C2318464 | Certificate of Analysis | Jan 19, 2026 | E170679 |
| C2318470 | Certificate of Analysis | Jan 19, 2026 | E170679 |
| C2318478 | Certificate of Analysis | Jan 19, 2026 | E170679 |
| C2318499 | Certificate of Analysis | Jan 19, 2026 | E170679 |
| C2318503 | Certificate of Analysis | Jan 19, 2026 | E170679 |
| C2318498 | Certificate of Analysis | Dec 14, 2022 | E170679 |
| Índice de refracción | n20/D 1.429 (lit.) |
|---|---|
| Punto de inflamación (°F) | 199.4 °F |
| Punto de inflamación (°C) | 93 °C |
| Punto de ebullición (°C) | 68 °C/3 mmHg (lit.) |
| Peso molecular | 143.140 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 143.058 Da |
| Monoisotopic Mass | 143.058 Da |
| Topological Polar Surface Area | 55.700 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 149.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
