2-Chloroethyl nitrate
TL;DR: 2-Chloroethyl nitrate (CAS 21823-34-7) is a chemical compound with molecular formula C2H4ClNO3 and molecular weight 124.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl nitrate
Also Known As: 2-Chloroethyl nitrate, 2-Chloroethanol nitrate, Ethylene chlorohydrin nitrate, Ethanol, 2-chloro-, nitrate, Ex042
| Molecular Formula | C2H4ClNO3 |
|---|---|
| Molecular Weight | 124.99 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.98797 |
| Heavy Atoms | 7 |
| Complexity | 60.0 |
Chemical Identifiers
| CAS Number | 21823-34-7 |
|---|---|
| SMILES | C(CCl)O[N+](=O)[O-] |
| InChIKey | DPJQIIJHCSOAOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl nitrate (CAS 21823-34-7), with molecular formula C2H4ClNO3 and molecular weight 124.99 g/mol. IUPAC: 2-chloroethyl nitrate.
Chemical Property Profile of 2-Chloroethyl nitrate
Property Insights of 2-Chloroethyl nitrate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl nitrate. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Chloroethyl nitrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl nitrate has 0 hydrogen bond donor(s) and 3 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 2-Chloroethyl nitrate?
The CAS number of 2-Chloroethyl nitrate is 21823-34-7.
What is the molecular formula of 2-Chloroethyl nitrate?
The molecular formula of 2-Chloroethyl nitrate is C2H4ClNO3.
What is the molecular weight of 2-Chloroethyl nitrate?
The molecular weight of 2-Chloroethyl nitrate is 124.99 g/mol.
Where can I buy 2-Chloroethyl nitrate?
You can request a quote for 2-Chloroethyl nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl nitrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.