Ethyl isocyanate
TL;DR: Ethyl isocyanate (CAS 109-90-0) is a chemical compound with molecular formula C3H5NO and molecular weight 71.03712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
isocyanatoethane
Also Known As: ETHYL ISOCYANATE, Isocyanatoethane, Ethane, isocyanato-, ethylisocyanate, Isocyanatoethene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H5NO |
| Molecular Weight | 71.03712 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 71.03712 Da |
| Heavy Atoms | 5 |
| Complexity | 53.0 |
| Boiling Point | 60 °C |
| Density | 0.9031g/cu cm |
| Vapor Pressure | 17.5 [mmHg] |
| Refractive Index | Index of refraction: 1.3808 at 20 °C/D |
| Solubility | Miscible in ethanol, ether |
| SMILES | CCN=C=O |
| InChIKey | WUDNUHPRLBTKOJ-UHFFFAOYSA-N |
Product Description
Applications: Ethyl isocyanate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl isocyanate (CAS 109-90-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Ethyl isocyanate is a heterocyclic building block identified by CAS number 109-90-0 and the molecular formula C3H5NO and a molecular weight of 71.04 g/mol. Physically, the compound has a density of 0.9031g/cu cm g/cm³, a solubility: Miscible in ethanol, ether. It is also known as ETHYL ISOCYANATE and Isocyanatoethane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethyl isocyanate
Property Insights of Ethyl isocyanate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl isocyanate. With a topological polar surface area (TPSA) of 29.4 Ų, Ethyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl isocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl isocyanate?
The CAS number of Ethyl isocyanate is 109-90-0.
What is the molecular formula of Ethyl isocyanate?
The molecular formula of Ethyl isocyanate is C3H5NO.
What is the molecular weight of Ethyl isocyanate?
The molecular weight of Ethyl isocyanate is 71.03712 g/mol.
What are the applications of Ethyl isocyanate?
Ethyl isocyanate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl isocyanate (CAS 109-90-0) with...
Where can I buy Ethyl isocyanate?
You can request a quote for Ethyl isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl isocyanate?
Yes, CoreyChem provides custom synthesis services for Ethyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.