Chlorotrinitromethane
TL;DR: Chlorotrinitromethane (CAS 1943-16-4) is a chemical compound with molecular formula CClN3O6 and molecular weight 184.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloro(trinitro)methane
Also Known As: Chlorotrinitromethane, Chloronitroform, Methane, chlorotrinitro-, Trinitrochloromethane, chloro(trinitro)methane
| Molecular Formula | CClN3O6 |
|---|---|
| Molecular Weight | 184.95 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.94756 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 1943-16-4 |
|---|---|
| SMILES | C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])Cl |
| InChIKey | GNZCDDDPGSFZFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorotrinitromethane (CAS 1943-16-4), with molecular formula CClN3O6 and molecular weight 184.95 g/mol. IUPAC: chloro(trinitro)methane.
Chemical Property Profile of Chlorotrinitromethane
Property Insights of Chlorotrinitromethane
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorotrinitromethane. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorotrinitromethane. Following Lipinski's Rule of Five, Chlorotrinitromethane has 0 hydrogen bond donor(s) and 6 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 Chlorotrinitromethane?
The CAS number of Chlorotrinitromethane is 1943-16-4.
What is the molecular formula of Chlorotrinitromethane?
The molecular formula of Chlorotrinitromethane is CClN3O6.
What is the molecular weight of Chlorotrinitromethane?
The molecular weight of Chlorotrinitromethane is 184.95 g/mol.
Where can I buy Chlorotrinitromethane?
You can request a quote for Chlorotrinitromethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorotrinitromethane?
Yes, KEHONG BIO provides custom synthesis services for Chlorotrinitromethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.