Chloral alcoholate
TL;DR: Chloral alcoholate (CAS 515-83-3) is a chemical compound with molecular formula C4H7Cl3O2 and molecular weight 191.95116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trichloro-1-ethoxyethanol
Also Known As: 2,2,2-Trichloro-1-ethoxyethanol, Chloral alcoholate, Chloral semiacetal, Chloralalkoholat, Chloral ethylalcoholate
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7Cl3O2 |
| Molecular Weight | 191.95116 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.95116 Da |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| SMILES | CCOC(C(Cl)(Cl)Cl)O |
| InChIKey | DLHWKJDYXPNWAI-UHFFFAOYSA-N |
Product Description
Applications: Chloral alcoholate is used in pharmaceutical synthesis routes and API production, 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).
A pharmaceutical intermediate supplied by CoreyChem, Chloral alcoholate (CAS 515-83-3) has the molecular formula C4H7Cl3O2 and a molecular weight of 191.95 g/mol. Synonyms include 2,2,2-Trichloro-1-ethoxyethanol and Chloral alcoholate.
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 Chloral alcoholate
Property Insights of Chloral alcoholate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloral alcoholate. With a topological polar surface area (TPSA) of 29.5 Ų, Chloral alcoholate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloral alcoholate has 1 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 Chloral alcoholate?
The CAS number of Chloral alcoholate is 515-83-3.
What is the molecular formula of Chloral alcoholate?
The molecular formula of Chloral alcoholate is C4H7Cl3O2.
What is the molecular weight of Chloral alcoholate?
The molecular weight of Chloral alcoholate is 191.95116 g/mol.
What are the applications of Chloral alcoholate?
Chloral alcoholate is used in pharmaceutical synthesis routes and API production, 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...
Where can I buy Chloral alcoholate?
You can request a quote for Chloral alcoholate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chloral alcoholate?
Yes, CoreyChem provides custom synthesis services for Chloral alcoholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.