1-Chloro-1,1-dinitroethane
TL;DR: 1-Chloro-1,1-dinitroethane (CAS 2972-95-4) is a chemical compound with molecular formula C2H3ClN2O4 and molecular weight 153.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1,1-dinitroethane
Also Known As: 1-Chloro-1,1-dinitroethane, chlorodinitroethane, ETHANE, 1-CHLORO-1,1-DINITRO-, 1-Chloro-1,1-dinitro-ethane, Ethane,1-chloro-1,1-dinitro-
| Molecular Formula | C2H3ClN2O4 |
|---|---|
| Molecular Weight | 153.98 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.97813 |
| Heavy Atoms | 9 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 2972-95-4 |
|---|---|
| SMILES | CC([N+](=O)[O-])([N+](=O)[O-])Cl |
| InChIKey | WCEVKBJRFBEDHR-UHFFFAOYSA-N |
Product Overview
1-Chloro-1,1-dinitroethane (CAS 2972-95-4), with molecular formula C2H3ClN2O4 and molecular weight 153.98 g/mol. IUPAC: 1-chloro-1,1-dinitroethane.
Chemical Property Profile of 1-Chloro-1,1-dinitroethane
Property Insights of 1-Chloro-1,1-dinitroethane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-1,1-dinitroethane. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-1,1-dinitroethane. Following Lipinski's Rule of Five, 1-Chloro-1,1-dinitroethane has 0 hydrogen bond donor(s) and 4 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-1,1-dinitroethane?
The CAS number of 1-Chloro-1,1-dinitroethane is 2972-95-4.
What is the molecular formula of 1-Chloro-1,1-dinitroethane?
The molecular formula of 1-Chloro-1,1-dinitroethane is C2H3ClN2O4.
What is the molecular weight of 1-Chloro-1,1-dinitroethane?
The molecular weight of 1-Chloro-1,1-dinitroethane is 153.98 g/mol.
Where can I buy 1-Chloro-1,1-dinitroethane?
You can request a quote for 1-Chloro-1,1-dinitroethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-1,1-dinitroethane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1,1-dinitroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.