Methyl chloroacetate
TL;DR: Methyl chloroacetate (CAS 96-34-4) is a chemical compound with molecular formula C3H5ClO2 and molecular weight 107.99781 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-chloroacetate
Also Known As: METHYL CHLOROACETATE, methyl 2-chloroacetate, Chloroacetic acid methyl ester, Methyl chloroethanoate, Methyl monochloroacetate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H5ClO2 |
| Molecular Weight | 107.99781 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 107.99781 Da |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
| Melting Point | -26 °F (USCG, 1999) |
| Boiling Point | 266 °F at 760 mmHg (USCG, 1999) |
| Density | 1.2337 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 125 °F (USCG, 1999) |
| Vapor Pressure | 16.54 mmHg (USCG, 1999) |
| Refractive Index | Index of refraction: 1.4218 at 20 °C |
| Solubility | In water, 4.6X10+4 mg/L at 20 °C |
| SMILES | COC(=O)CCl |
| InChIKey | QABLOFMHHSOFRJ-UHFFFAOYSA-N |
Product Description
Applications: Methyl chloroacetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methyl chloroacetate (CAS 96-34-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Methyl chloroacetate is a heterocyclic building block identified by CAS number 96-34-4 and the molecular formula C3H5ClO2 and a molecular weight of 108 g/mol. Physically, the compound has a density of 1.2337 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: In water, 4.6X10+4 mg/L at 20 °C. It is also known as METHYL CHLOROACETATE and methyl 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 Methyl chloroacetate
Property Insights of Methyl chloroacetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl chloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl chloroacetate?
The CAS number of Methyl chloroacetate is 96-34-4.
What is the molecular formula of Methyl chloroacetate?
The molecular formula of Methyl chloroacetate is C3H5ClO2.
What is the molecular weight of Methyl chloroacetate?
The molecular weight of Methyl chloroacetate is 107.99781 g/mol.
What are the applications of Methyl chloroacetate?
Methyl chloroacetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methyl chloroacetate (CAS...
Where can I buy Methyl chloroacetate?
You can request a quote for Methyl chloroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl chloroacetate?
Yes, CoreyChem provides custom synthesis services for Methyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.