3-Fluoroanisole
TL;DR: 3-Fluoroanisole (CAS 456-49-5) is a chemical compound with molecular formula C7H7FO and molecular weight 126.048096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-fluoro-3-methoxybenzene
Also Known As: 3-Fluoroanisole, m-Fluoroanisole, 1-FLUORO-3-METHOXYBENZENE, 3-fluoroanisol, Benzene, 1-fluoro-3-methoxy-
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7FO |
| Molecular Weight | 126.048096 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.048096 Da |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
| SMILES | COC1=CC(=CC=C1)F |
| InChIKey | MFJNOXOAIFNSBX-UHFFFAOYSA-N |
Product Description
Applications: 3-Fluoroanisole 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-Fluoroanisole (CAS 456-49-5) is a heterocyclic building block with the molecular formula C7H7FO and a molecular weight of 126.05 g/mol. Synonyms include 3-Fluoroanisole and m-Fluoroanisole.
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 3-Fluoroanisole
Property Insights of 3-Fluoroanisole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoroanisole. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Fluoroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoroanisole 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 3-Fluoroanisole?
The CAS number of 3-Fluoroanisole is 456-49-5.
What is the molecular formula of 3-Fluoroanisole?
The molecular formula of 3-Fluoroanisole is C7H7FO.
What is the molecular weight of 3-Fluoroanisole?
The molecular weight of 3-Fluoroanisole is 126.048096 g/mol.
What are the applications of 3-Fluoroanisole?
3-Fluoroanisole 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. Available from CoreyChem as both catalog item and...
Where can I buy 3-Fluoroanisole?
You can request a quote for 3-Fluoroanisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Fluoroanisole?
Yes, CoreyChem provides custom synthesis services for 3-Fluoroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.