Ethyl trichloroacetate
TL;DR: Ethyl trichloroacetate (CAS 515-84-4) is a chemical compound with molecular formula C4H5Cl3O2 and molecular weight 189.93552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,2,2-trichloroacetate
Also Known As: ETHYL TRICHLOROACETATE, ethyl 2,2,2-trichloroacetate, Trichloroethyl acetate, Acetic acid, trichloro-, ethyl ester, Tadalafil Impurity 59
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5Cl3O2 |
| Molecular Weight | 189.93552 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.93552 Da |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
| SMILES | CCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | SJMLNDPIJZBEKY-UHFFFAOYSA-N |
Product Description
Applications: Ethyl trichloroacetate is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl trichloroacetate (CAS 515-84-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Ethyl trichloroacetate is a polymer intermediate identified by CAS number 515-84-4 and the molecular formula C4H5Cl3O2 and a molecular weight of 189.94 g/mol. It is also known as ETHYL TRICHLOROACETATE and ethyl 2,2,2-trichloroacetate.
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 trichloroacetate
Property Insights of Ethyl trichloroacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl trichloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl trichloroacetate 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 trichloroacetate?
The CAS number of Ethyl trichloroacetate is 515-84-4.
What is the molecular formula of Ethyl trichloroacetate?
The molecular formula of Ethyl trichloroacetate is C4H5Cl3O2.
What is the molecular weight of Ethyl trichloroacetate?
The molecular weight of Ethyl trichloroacetate is 189.93552 g/mol.
What are the applications of Ethyl trichloroacetate?
Ethyl trichloroacetate is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl trichloroacetate (CAS...
Where can I buy Ethyl trichloroacetate?
You can request a quote for Ethyl trichloroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl trichloroacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.