3-Fluorobenzoic Acid
TL;DR: 3-Fluorobenzoic Acid (CAS 455-38-9) is a chemical compound with molecular formula C7H5FO2 and molecular weight 140.02736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-fluorobenzoic acid
Also Known As: 3-FLUOROBENZOIC ACID, m-Fluorobenzoic acid, Benzoic acid, 3-fluoro-, 3-Fluorobenzoate, Benzoic acid, m-fluoro-
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5FO2 |
| Molecular Weight | 140.02736 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.02736 Da |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
| Vapor Pressure | 0.05 [mmHg] |
| SMILES | C1=CC(=CC(=C1)F)C(=O)O |
| InChIKey | MXNBDFWNYRNIBH-UHFFFAOYSA-N |
Product Description
Applications: 3-Fluorobenzoic Acid 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).
A heterocyclic building block supplied by CoreyChem, 3-Fluorobenzoic Acid (CAS 455-38-9) has the molecular formula C7H5FO2 and a molecular weight of 140.03 g/mol. Synonyms include 3-FLUOROBENZOIC ACID and m-Fluorobenzoic acid.
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-Fluorobenzoic Acid
Property Insights of 3-Fluorobenzoic Acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluorobenzoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Fluorobenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorobenzoic Acid has 1 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 3-Fluorobenzoic Acid?
The CAS number of 3-Fluorobenzoic Acid is 455-38-9.
What is the molecular formula of 3-Fluorobenzoic Acid?
The molecular formula of 3-Fluorobenzoic Acid is C7H5FO2.
What is the molecular weight of 3-Fluorobenzoic Acid?
The molecular weight of 3-Fluorobenzoic Acid is 140.02736 g/mol.
What are the applications of 3-Fluorobenzoic Acid?
3-Fluorobenzoic Acid 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-Fluorobenzoic Acid?
You can request a quote for 3-Fluorobenzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Fluorobenzoic Acid?
Yes, CoreyChem provides custom synthesis services for 3-Fluorobenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.