Phenyl fluoroacetate
TL;DR: Phenyl fluoroacetate (CAS 404-15-9) is a chemical compound with molecular formula C8H7FO2 and molecular weight 154.04301 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenyl 2-fluoroacetate
Also Known As: Phenyl fluoroacetate, phenyl 2-fluoroacetate, 1-Acetoxy-4-fluorobenzene, Fluoroacetic acid phenyl ester, Acetic Acid 4-Fluorophenyl Ester
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7FO2 |
| Molecular Weight | 154.04301 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.04301 Da |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
| SMILES | C1=CC=C(C=C1)OC(=O)CF |
| InChIKey | HSLTXXUPJDQIFD-UHFFFAOYSA-N |
Product Description
Applications: Phenyl fluoroacetate is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
Phenyl fluoroacetate (CAS 404-15-9) is a polymer intermediate with the molecular formula C8H7FO2 and a molecular weight of 154.04 g/mol. Synonyms include Phenyl fluoroacetate and phenyl 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 Phenyl fluoroacetate
Property Insights of Phenyl fluoroacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl fluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl fluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 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 Phenyl fluoroacetate?
The CAS number of Phenyl fluoroacetate is 404-15-9.
What is the molecular formula of Phenyl fluoroacetate?
The molecular formula of Phenyl fluoroacetate is C8H7FO2.
What is the molecular weight of Phenyl fluoroacetate?
The molecular weight of Phenyl fluoroacetate is 154.04301 g/mol.
What are the applications of Phenyl fluoroacetate?
Phenyl fluoroacetate is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Phenyl fluoroacetate?
You can request a quote for Phenyl fluoroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenyl fluoroacetate?
Yes, CoreyChem provides custom synthesis services for Phenyl fluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.