≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
The rate constants for the gas phase reactions of ozone, OH radical and NO(3) radical with allyl isocyanate (AIC) were studied.
| Pubchem Sid | 508813482 |
|---|---|
| Sonrisas canónicas | C=CCN=C=O |
| IUPAC Name | 3-isocyanatoprop-1-ene |
| InChIKey | HXBPYFMVGFDZFT-UHFFFAOYSA-N |
| INCHI | 1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2 |
| Isómeros SMILES | C=CCN=C=O |
| WGK Alemania | 3 |
| RTECS | NQ8175000 |
| Peso molecular | 83.09 |
| Beilstein | 506106 |
| Reaxy-Rn | 506106 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506106&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 | Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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 |
|---|---|---|---|
 G2315237 | Certificate of Analysis | Apr 07, 2026 | A167384 |
| G2315226 | Certificate of Analysis | Apr 07, 2026 | A167384 |
| I2518791 | Certificate of Analysis | Mar 24, 2025 | A167384 |
| I2518792 | Certificate of Analysis | Mar 24, 2025 | A167384 |
| B2527249 | Certificate of Analysis | Feb 17, 2025 | A167384 |
| B2527279 | Certificate of Analysis | Feb 17, 2025 | A167384 |
| C2506736 | Certificate of Analysis | Feb 17, 2025 | A167384 |
| C2506737 | Certificate of Analysis | Feb 17, 2025 | A167384 |
| L2121243 | Certificate of Analysis | Oct 18, 2024 | A167384 |
| G2315214 | Certificate of Analysis | Jul 07, 2023 | A167384 |
| J2229086 | Certificate of Analysis | Oct 09, 2022 | A167384 |
| J2229095 | Certificate of Analysis | Oct 09, 2022 | A167384 |
| Solubilidad | Hydrolyzes in water. |
|---|---|
| Sensibilidad | Moisture sensitive |
| Índice de refracción | 1.417 |
| Punto de inflamación (°C) | 43 °C - closed cup |
| Punto de ebullición (°C) | 87-89℃ |
| Peso molecular | 83.090 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 83.0371 Da |
| Monoisotopic Mass | 83.0371 Da |
| Topological Polar Surface Area | 29.400 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 81.500 |
| 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 |
