Ethane, 1-chloro-2-nitro-
TL;DR: Ethane, 1-chloro-2-nitro- (CAS 625-47-8) is a chemical compound with molecular formula C(CCl)[N+](=O)[O-] 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-2-nitroethane
Also Known As: 2-Chloronitroethane, 1-Chloro-2-nitroethane, Ethane, 1-chloro-2-nitro-, 1-Nitro-2-chloroethane, 2-Chlor-1-nitro-athan
| Molecular Formula | C(CCl)[N+](=O)[O-] |
|---|---|
| Molecular Weight | 108.99 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 108.99306 |
| Heavy Atoms | 6 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 625-47-8 |
|---|---|
| SMILES | C(CCl)[N+](=O)[O-] |
| InChIKey | XMZRJPITAOAPLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethane, 1-chloro-2-nitro- (CAS 625-47-8), with molecular formula C(CCl)[N+](=O)[O-] and molecular weight 108.99 g/mol. IUPAC: 1-chloro-2-nitroethane.
Chemical Property Profile of Ethane, 1-chloro-2-nitro-
Property Insights of Ethane, 1-chloro-2-nitro-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethane, 1-chloro-2-nitro-. With a topological polar surface area (TPSA) of 45.8 Ų, Ethane, 1-chloro-2-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethane, 1-chloro-2-nitro- 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 Ethane, 1-chloro-2-nitro-?
The CAS number of Ethane, 1-chloro-2-nitro- is 625-47-8.
What is the molecular formula of Ethane, 1-chloro-2-nitro-?
The molecular formula of Ethane, 1-chloro-2-nitro- is C(CCl)[N+](=O)[O-].
What is the molecular weight of Ethane, 1-chloro-2-nitro-?
The molecular weight of Ethane, 1-chloro-2-nitro- is 108.99 g/mol.
Where can I buy Ethane, 1-chloro-2-nitro-?
You can request a quote for Ethane, 1-chloro-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethane, 1-chloro-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Ethane, 1-chloro-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.