1-Chloro-1-nitroethane
TL;DR: 1-Chloro-1-nitroethane (CAS 598-92-5) is a chemical compound with molecular formula C2H4ClNO2 and molecular weight 108.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1-nitroethane
Also Known As: 1-Chloro-1-nitroethane, 1-Chloronitroethane, nefopam, ETHANE, 1-CHLORO-1-NITRO-, 1-Chlor-1-nitroaethan
| Molecular Formula | C2H4ClNO2 |
|---|---|
| Molecular Weight | 108.99 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.99306 |
| Heavy Atoms | 6 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 598-92-5 |
|---|---|
| SMILES | CC([N+](=O)[O-])Cl |
| InChIKey | LPIWIOBGUAPNQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-1-nitroethane (CAS 598-92-5), with molecular formula C2H4ClNO2 and molecular weight 108.99 g/mol. IUPAC: 1-chloro-1-nitroethane.
Chemical Property Profile of 1-Chloro-1-nitroethane
Property Insights of 1-Chloro-1-nitroethane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-1-nitroethane. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Chloro-1-nitroethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-1-nitroethane 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 1-Chloro-1-nitroethane?
The CAS number of 1-Chloro-1-nitroethane is 598-92-5.
What is the molecular formula of 1-Chloro-1-nitroethane?
The molecular formula of 1-Chloro-1-nitroethane is C2H4ClNO2.
What is the molecular weight of 1-Chloro-1-nitroethane?
The molecular weight of 1-Chloro-1-nitroethane is 108.99 g/mol.
Where can I buy 1-Chloro-1-nitroethane?
You can request a quote for 1-Chloro-1-nitroethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-1-nitroethane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1-nitroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.