2-Chloroethyl isocyanate
TL;DR: 2-Chloroethyl isocyanate (CAS 1943-83-5) is a chemical compound with molecular formula C3H4ClNO and molecular weight 105.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-isocyanatoethane
Also Known As: 2-Chloroethyl isocyanate, 1-Chloro-2-isocyanatoethane, 2-Chloroethylisocyanate, Chloroethylisocyanate, Ethane, 1-chloro-2-isocyanato-
| Molecular Formula | C3H4ClNO |
|---|---|
| Molecular Weight | 105.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.99814 |
| Heavy Atoms | 6 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 1943-83-5 |
|---|---|
| SMILES | C(CCl)N=C=O |
| InChIKey | BCMYXYHEMGPZJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl isocyanate (CAS 1943-83-5), with molecular formula C3H4ClNO and molecular weight 105.00 g/mol. IUPAC: 1-chloro-2-isocyanatoethane.
Chemical Property Profile of 2-Chloroethyl isocyanate
Property Insights of 2-Chloroethyl isocyanate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl isocyanate. With a topological polar surface area (TPSA) of 29.4 Ų, 2-Chloroethyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 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
Frequently Asked Questions
What is the CAS number of 2-Chloroethyl isocyanate?
The CAS number of 2-Chloroethyl isocyanate is 1943-83-5.
What is the molecular formula of 2-Chloroethyl isocyanate?
The molecular formula of 2-Chloroethyl isocyanate is C3H4ClNO.
What is the molecular weight of 2-Chloroethyl isocyanate?
The molecular weight of 2-Chloroethyl isocyanate is 105.00 g/mol.
Where can I buy 2-Chloroethyl isocyanate?
You can request a quote for 2-Chloroethyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.