Bis(2-chloroethyl) ether
TL;DR: Bis(2-chloroethyl) ether (CAS 111-44-4) is a chemical compound with molecular formula C4H8Cl2O and molecular weight 141.99522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-(2-chloroethoxy)ethane
Also Known As: 2-Chloroethyl ether, 2,2'-Dichlorodiethyl ether, Chlorex, BIS(2-CHLOROETHYL) ETHER, Dichloroether
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8Cl2O |
| Molecular Weight | 141.99522 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 141.99522 Da |
| Heavy Atoms | 7 |
| Complexity | 28.0 |
| Melting Point | -58 °F (EPA, 1998) |
| Boiling Point | 352 °F at 760 mmHg (EPA, 1998) |
| Density | 1.22 at 68 °F (EPA, 1998) - Denser than water; will sink |
| Flash Point | 131 °F (EPA, 1998) |
| Vapor Pressure | 0.7 mmHg at 68 °F (EPA, 1998) |
| Refractive Index | INDEX OF REFRACTION: 1.451 @ 20 °C/D |
| Solubility | Reaction (NTP, 1992) |
| SMILES | C(CCl)OCCCl |
| InChIKey | ZNSMNVMLTJELDZ-UHFFFAOYSA-N |
Chemical Property Profile of Bis(2-chloroethyl) ether
Property Insights of Bis(2-chloroethyl) ether
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-chloroethyl) ether. With a topological polar surface area (TPSA) of 9.2 Ų, Bis(2-chloroethyl) ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-chloroethyl) ether has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bis(2-chloroethyl) ether?
The CAS number of Bis(2-chloroethyl) ether is 111-44-4.
What is the molecular formula of Bis(2-chloroethyl) ether?
The molecular formula of Bis(2-chloroethyl) ether is C4H8Cl2O.
What is the molecular weight of Bis(2-chloroethyl) ether?
The molecular weight of Bis(2-chloroethyl) ether is 141.99522 g/mol.
Where can I buy Bis(2-chloroethyl) ether?
You can request a quote for Bis(2-chloroethyl) ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(2-chloroethyl) ether?
Yes, CoreyChem provides custom synthesis services for Bis(2-chloroethyl) ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.