Methyl fluoroacetate
TL;DR: Methyl fluoroacetate (CAS 453-18-9) is a chemical compound with molecular formula C3H5FO2 and molecular weight 92.02736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-fluoroacetate
Also Known As: Methyl fluoroacetate, methyl 2-fluoroacetate, Fluoroacetic Acid Methyl Ester, METHYLFLUOROACETATE, Fluoroacetic acid, methyl ester
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H5FO2 |
| Molecular Weight | 92.02736 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 92.02736 Da |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
| Melting Point | -35 °C |
| Boiling Point | 104.5 °C |
| Density | 1.1744 at 20 °C/4 °C; 1.1613 at 15 °C/4 °C |
| Refractive Index | Index of refraction: 1.3679 at 20 °C/D |
| Solubility | Soluble in water |
| SMILES | COC(=O)CF |
| InChIKey | RJBYSQHLLIHSLT-UHFFFAOYSA-N |
Product Description
Applications: Methyl fluoroacetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, 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).
Methyl fluoroacetate is a heterocyclic building block identified by CAS number 453-18-9 and the molecular formula C3H5FO2 and a molecular weight of 92.03 g/mol. Physically, the compound has a density of 1.1744 at 20 °C/4 °C; 1.1613 at 15 °C/4 °C g/cm³, a solubility: Soluble in water. Synonyms include Methyl fluoroacetate and methyl 2-fluoroacetate.
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 fluoroacetate
Property Insights of Methyl fluoroacetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl fluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl fluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl fluoroacetate has 0 hydrogen bond donor(s) and 3 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 fluoroacetate?
The CAS number of Methyl fluoroacetate is 453-18-9.
What is the molecular formula of Methyl fluoroacetate?
The molecular formula of Methyl fluoroacetate is C3H5FO2.
What is the molecular weight of Methyl fluoroacetate?
The molecular weight of Methyl fluoroacetate is 92.02736 g/mol.
What are the applications of Methyl fluoroacetate?
Methyl fluoroacetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, 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...
Where can I buy Methyl fluoroacetate?
You can request a quote for Methyl fluoroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl fluoroacetate?
Yes, CoreyChem provides custom synthesis services for Methyl fluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.