Bis(2-chloroethoxy)methane
TL;DR: Bis(2-chloroethoxy)methane (CAS 111-91-1) is a chemical compound with molecular formula C5H10Cl2O2 and molecular weight 172.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-(2-chloroethoxymethoxy)ethane
Also Known As: BIS(2-CHLOROETHOXY)METHANE, Dichloroethylformal, Dichloroethyl formal, 2,2-Dichloroethylformal, Di-2-chloroethyl formal
| Molecular Formula | C5H10Cl2O2 |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.00578 |
| Heavy Atoms | 9 |
| Complexity | 46.0 |
| Melting Point | Freezing point= -32.8 °C |
| Boiling Point | 218.1 °C at 760 mmHg |
| Density | 1.2339 @ 20 °C/20 °C |
| Solubility | ... Miscible with most organic solvents. |
| Flash Point | 110.0 °C |
| Vapor Pressure | 0.13 [mmHg] |
Chemical Identifiers
| CAS Number | 111-91-1 |
|---|---|
| SMILES | C(CCl)OCOCCCl |
| InChIKey | NLXGURFLBLRZRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-chloroethoxy)methane (CAS 111-91-1), with molecular formula C5H10Cl2O2 and molecular weight 172.01 g/mol. IUPAC: 1-chloro-2-(2-chloroethoxymethoxy)ethane.
Chemical Property Profile of Bis(2-chloroethoxy)methane
Property Insights of Bis(2-chloroethoxy)methane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-chloroethoxy)methane. With a topological polar surface area (TPSA) of 18.5 Ų, Bis(2-chloroethoxy)methane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-chloroethoxy)methane 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 Bis(2-chloroethoxy)methane?
The CAS number of Bis(2-chloroethoxy)methane is 111-91-1.
What is the molecular formula of Bis(2-chloroethoxy)methane?
The molecular formula of Bis(2-chloroethoxy)methane is C5H10Cl2O2.
What is the molecular weight of Bis(2-chloroethoxy)methane?
The molecular weight of Bis(2-chloroethoxy)methane is 172.01 g/mol.
Where can I buy Bis(2-chloroethoxy)methane?
You can request a quote for Bis(2-chloroethoxy)methane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-chloroethoxy)methane?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-chloroethoxy)methane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.