2,2-Dichloroethanol
TL;DR: 2,2-Dichloroethanol (CAS 598-38-9) is a chemical compound with molecular formula C2H4Cl2O and molecular weight 113.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroethanol
Also Known As: 2,2-DICHLOROETHANOL, Dichloroethanol, Ethanol, 2,2-dichloro-, 2,2-dichloroethan-1-ol, 2,2-Dichloro-ethanol
| Molecular Formula | C2H4Cl2O |
|---|---|
| Molecular Weight | 113.96 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 113.96392 |
| Heavy Atoms | 5 |
| Complexity | 21.0 |
| Boiling Point | 146.1 °C at 760 mmHg |
| Density | 1.404 at 25.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 73 °F (NTP, 1992) |
| Flash Point | 78.3 °C |
Chemical Identifiers
| CAS Number | 598-38-9 |
|---|---|
| SMILES | C(C(Cl)Cl)O |
| InChIKey | IDJOCJAIQSKSOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dichloroethanol (CAS 598-38-9), with molecular formula C2H4Cl2O and molecular weight 113.96 g/mol. IUPAC: 2,2-dichloroethanol.
Chemical Property Profile of 2,2-Dichloroethanol
Property Insights of 2,2-Dichloroethanol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichloroethanol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,2-Dichloroethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloroethanol has 1 hydrogen bond donor(s) and 1 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 2,2-Dichloroethanol?
The CAS number of 2,2-Dichloroethanol is 598-38-9.
What is the molecular formula of 2,2-Dichloroethanol?
The molecular formula of 2,2-Dichloroethanol is C2H4Cl2O.
What is the molecular weight of 2,2-Dichloroethanol?
The molecular weight of 2,2-Dichloroethanol is 113.96 g/mol.
Where can I buy 2,2-Dichloroethanol?
You can request a quote for 2,2-Dichloroethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichloroethanol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloroethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.