4-Amino-3-fluorobenzoic acid
TL;DR: 4-Amino-3-fluorobenzoic acid (CAS 455-87-8) is a chemical compound with molecular formula C7H6FNO2 and molecular weight 155.03825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-fluorobenzoic acid
Also Known As: 4-Amino-3-fluorobenzoic acid, 3-fluoro-4-aminobenzoic acid, BENZOIC ACID, 4-AMINO-3-FLUORO-, 4-Amino-3-fluoro-benzoic acid, 3'-Fluoropropiophenone
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6FNO2 |
| Molecular Weight | 155.03825 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.03825 Da |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
| SMILES | C1=CC(=C(C=C1C(=O)O)F)N |
| InChIKey | JSKXHTHMCCDEGD-UHFFFAOYSA-N |
Product Description
Applications: 4-Amino-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, 4-Amino-3-fluorobenzoic acid (CAS 455-87-8) has the molecular formula C7H6FNO2 and a molecular weight of 155.04 g/mol. Synonyms include 4-Amino-3-fluorobenzoic acid and 3-fluoro-4-aminobenzoic 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 4-Amino-3-fluorobenzoic acid
Property Insights of 4-Amino-3-fluorobenzoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-fluorobenzoic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-fluorobenzoic acid. Following Lipinski's Rule of Five, 4-Amino-3-fluorobenzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Amino-3-fluorobenzoic acid?
The CAS number of 4-Amino-3-fluorobenzoic acid is 455-87-8.
What is the molecular formula of 4-Amino-3-fluorobenzoic acid?
The molecular formula of 4-Amino-3-fluorobenzoic acid is C7H6FNO2.
What is the molecular weight of 4-Amino-3-fluorobenzoic acid?
The molecular weight of 4-Amino-3-fluorobenzoic acid is 155.03825 g/mol.
What are the applications of 4-Amino-3-fluorobenzoic acid?
4-Amino-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...
Where can I buy 4-Amino-3-fluorobenzoic acid?
You can request a quote for 4-Amino-3-fluorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-3-fluorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Amino-3-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.