Methyl chloroacetate
TL;DR: Methyl chloroacetate (CAS 96-34-4) is a chemical compound with molecular formula C3H5ClO2 and molecular weight 108.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloroacetate
Also Known As: METHYL CHLOROACETATE, methyl 2-chloroacetate, Chloroacetic acid methyl ester, Methyl chloroethanoate, Methyl monochloroacetate
| Molecular Formula | C3H5ClO2 |
|---|---|
| Molecular Weight | 108.00 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 107.99781 |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
| Melting Point | -32.2 °C |
| Boiling Point | 130.0 °C at 760 mmHg |
| Density | 1.2337 at 20.0 °C |
| Solubility | In water, 4.6X10+4 mg/L at 20 °C |
| Flash Point | 51.7 °C |
| Vapor Pressure | 16.54 mmHg |
| Refractive Index | 1.4218 at 20 °C |
Chemical Identifiers
| CAS Number | 96-34-4 |
|---|---|
| SMILES | COC(=O)CCl |
| InChIKey | QABLOFMHHSOFRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl chloroacetate (CAS 96-34-4), with molecular formula C3H5ClO2 and molecular weight 108.00 g/mol. IUPAC: methyl 2-chloroacetate.
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
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 108.00 g/mol.
Where can I buy Methyl chloroacetate?
You can request a quote for Methyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.