二氯乙醛
TL;DR: 二氯乙醛 (CAS 79-02-7) is a chemical compound with molecular formula C2H2Cl2O and molecular weight 111.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氯乙醛
2,2-dichloroacetaldehyde
Also Known As: DICHLOROACETALDEHYDE, 2,2-Dichloroacetaldehyde, Chloroaldehyde, Acetaldehyde, dichloro-, Chloraldehyde
| Molecular Formula | C2H2Cl2O |
|---|---|
| Molecular Weight | 111.95 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.94827 |
| Heavy Atoms | 5 |
| Complexity | 34.0 |
| Melting Point | -50.0 °C |
| Boiling Point | 87.8 °C at 760 mmHg |
| Density | 1.436 at 25.0 °C |
| Solubility | SOL IN ALC |
| Flash Point | 60.0 °C |
| Vapor Pressure | 50 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 79-02-7 |
|---|---|
| SMILES | C(=O)C(Cl)Cl |
| InChIKey | NWQWQKUXRJYXFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氯乙醛 (CAS 79-02-7), with molecular formula C2H2Cl2O and molecular weight 111.95 g/mol. IUPAC: 2,2-dichloroacetaldehyde.
Chemical Property Profile of 二氯乙醛
Property Insights of 二氯乙醛
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氯乙醛. With a topological polar surface area (TPSA) of 17.1 Ų, 二氯乙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氯乙醛 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
Frequently Asked Questions
What is the CAS number of 二氯乙醛?
The CAS number of 二氯乙醛 is 79-02-7.
What is the molecular formula of 二氯乙醛?
The molecular formula of 二氯乙醛 is C2H2Cl2O.
What is the molecular weight of 二氯乙醛?
The molecular weight of 二氯乙醛 is 111.95 g/mol.
Where can I buy 二氯乙醛?
You can request a quote for 二氯乙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氯乙醛?
Yes, KEHONG BIO provides custom synthesis services for 二氯乙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.