Ethyl chloroacetate
TL;DR: Ethyl chloroacetate (CAS 105-39-5) is a chemical compound with molecular formula C4H7ClO2 and molecular weight 122.01346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-chloroacetate
Also Known As: ETHYL CHLOROACETATE, ethyl 2-chloroacetate, Ethyl chloracetate, Ethyl monochloroacetate, Ethyl monochloracetate
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7ClO2 |
| Molecular Weight | 122.01346 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 122.01346 Da |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
| Melting Point | -15 °F (USCG, 1999) |
| Boiling Point | 289 °F at 760 mmHg (USCG, 1999) |
| Density | 1.15 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 100 °F (USCG, 1999) |
| Vapor Pressure | 4.87 [mmHg] |
| Refractive Index | Index of refraction: 1.4227 @ 20 °C/D |
| Solubility | Insol in water; miscible with alc, ether |
| SMILES | CCOC(=O)CCl |
| InChIKey | VEUUMBGHMNQHGO-UHFFFAOYSA-N |
Product Description
Applications: Ethyl chloroacetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl chloroacetate (CAS 105-39-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Ethyl chloroacetate (CAS 105-39-5) has the molecular formula C4H7ClO2 and a molecular weight of 122.01 g/mol. Reported properties include a density of 1.15 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: Insol in water; miscible with alc, ether. It is also known as ETHYL CHLOROACETATE and ethyl 2-chloroacetate.
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 chloroacetate
Property Insights of Ethyl chloroacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl chloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl chloroacetate 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 chloroacetate?
The CAS number of Ethyl chloroacetate is 105-39-5.
What is the molecular formula of Ethyl chloroacetate?
The molecular formula of Ethyl chloroacetate is C4H7ClO2.
What is the molecular weight of Ethyl chloroacetate?
The molecular weight of Ethyl chloroacetate is 122.01346 g/mol.
What are the applications of Ethyl chloroacetate?
Ethyl chloroacetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl chloroacetate (CAS 105-39-5)...
Where can I buy Ethyl chloroacetate?
You can request a quote for Ethyl chloroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl chloroacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.