Ethyl dichloroacetate
TL;DR: Ethyl dichloroacetate (CAS 535-15-9) is a chemical compound with molecular formula C4H6Cl2O2 and molecular weight 155.97449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,2-dichloroacetate
Also Known As: ETHYL DICHLOROACETATE, Ethyl 2,2-dichloroacetate, null, Ethyldichloroacetate, Ethyl dichloroethanoate
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6Cl2O2 |
| Molecular Weight | 155.97449 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.97449 Da |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
| SMILES | CCOC(=O)C(Cl)Cl |
| InChIKey | IWYBVQLPTCMVFO-UHFFFAOYSA-N |
Product Description
Applications: Ethyl dichloroacetate is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
Ethyl dichloroacetate is a polymer intermediate identified by CAS number 535-15-9 and the molecular formula C4H6Cl2O2 and a molecular weight of 155.97 g/mol. Synonyms include ETHYL DICHLOROACETATE and Ethyl 2,2-dichloroacetate.
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 Ethyl dichloroacetate
Property Insights of Ethyl dichloroacetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl dichloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl dichloroacetate 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
What is the CAS number of Ethyl dichloroacetate?
The CAS number of Ethyl dichloroacetate is 535-15-9.
What is the molecular formula of Ethyl dichloroacetate?
The molecular formula of Ethyl dichloroacetate is C4H6Cl2O2.
What is the molecular weight of Ethyl dichloroacetate?
The molecular weight of Ethyl dichloroacetate is 155.97449 g/mol.
What are the applications of Ethyl dichloroacetate?
Ethyl dichloroacetate is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Ethyl dichloroacetate?
You can request a quote for Ethyl dichloroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl dichloroacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.