Chlorine isocyanate
TL;DR: Chlorine isocyanate (CAS 13858-09-8) is a chemical compound with molecular formula CClNO and molecular weight 76.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloroimino(oxo)methane
Also Known As: Chlorine isocyanate, Chlorisocyanat, chloro isocyanate, ClNCO, chloroimino(oxo)methane
| Molecular Formula | CClNO |
|---|---|
| Molecular Weight | 76.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 76.96684 |
| Heavy Atoms | 4 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 13858-09-8 |
|---|---|
| SMILES | C(=NCl)=O |
| InChIKey | IDKXMGZRWKCTGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorine isocyanate (CAS 13858-09-8), with molecular formula CClNO and molecular weight 76.97 g/mol. IUPAC: chloroimino(oxo)methane.
Chemical Property Profile of Chlorine isocyanate
Property Insights of Chlorine isocyanate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorine isocyanate. With a topological polar surface area (TPSA) of 29.4 Ų, Chlorine isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorine 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 Chlorine isocyanate?
The CAS number of Chlorine isocyanate is 13858-09-8.
What is the molecular formula of Chlorine isocyanate?
The molecular formula of Chlorine isocyanate is CClNO.
What is the molecular weight of Chlorine isocyanate?
The molecular weight of Chlorine isocyanate is 76.97 g/mol.
Where can I buy Chlorine isocyanate?
You can request a quote for Chlorine isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorine isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Chlorine isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.