Dichloroacetaldehyde
TL;DR: Dichloroacetaldehyde (CAS 79-02-7) is a chemical compound with molecular formula C2H2Cl2O and molecular weight 111.94827 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dichloroacetaldehyde
Also Known As: DICHLOROACETALDEHYDE, 2,2-Dichloroacetaldehyde, Chloroaldehyde, Acetaldehyde, dichloro-, Chloraldehyde
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H2Cl2O |
| Molecular Weight | 111.94827 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.94827 Da |
| Heavy Atoms | 5 |
| Complexity | 34.0 |
| Melting Point | -58 °F (NTP, 1992) |
| Boiling Point | 190 °F at 760 mmHg (NTP, 1992) |
| Density | 1.436 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 140 °F (NTP, 1992) |
| Vapor Pressure | 50 mmHg at 68 °F (NTP, 1992) |
| Solubility | SOL IN ALC |
| SMILES | C(=O)C(Cl)Cl |
| InChIKey | NWQWQKUXRJYXFH-UHFFFAOYSA-N |
Product Description
Applications: Dichloroacetaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Dichloroacetaldehyde (CAS 79-02-7) is a heterocyclic building block with the molecular formula C2H2Cl2O and a molecular weight of 111.95 g/mol. Key physical properties include a density of 1.436 at 77 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: SOL IN ALC. Synonyms include DICHLOROACETALDEHYDE and 2,2-Dichloroacetaldehyde.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Dichloroacetaldehyde
Property Insights of Dichloroacetaldehyde
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichloroacetaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, Dichloroacetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichloroacetaldehyde 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 Dichloroacetaldehyde?
The CAS number of Dichloroacetaldehyde is 79-02-7.
What is the molecular formula of Dichloroacetaldehyde?
The molecular formula of Dichloroacetaldehyde is C2H2Cl2O.
What is the molecular weight of Dichloroacetaldehyde?
The molecular weight of Dichloroacetaldehyde is 111.94827 g/mol.
What are the applications of Dichloroacetaldehyde?
Dichloroacetaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy Dichloroacetaldehyde?
You can request a quote for Dichloroacetaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dichloroacetaldehyde?
Yes, CoreyChem provides custom synthesis services for Dichloroacetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.