2,6-Difluorobenzoic acid
TL;DR: 2,6-Difluorobenzoic acid (CAS 385-00-2) is a chemical compound with molecular formula C7H4F2O2 and molecular weight 158.01793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-difluorobenzoic acid
Also Known As: 2,6-DIFLUOROBENZOIC ACID, Benzoic acid, 2,6-difluoro-, 2,6-Difluorobenzoicacid, qvr bf ff, Lufenuron metabolite
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4F2O2 |
| Molecular Weight | 158.01793 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.01793 Da |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
| Vapor Pressure | 0.02 [mmHg] |
| SMILES | C1=CC(=C(C(=C1)F)C(=O)O)F |
| InChIKey | ONOTYLMNTZNAQZ-UHFFFAOYSA-N |
Product Description
Applications: 2,6-Difluorobenzoic 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. CoreyChem supplies 2,6-Difluorobenzoic acid (CAS 385-00-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 2,6-Difluorobenzoic acid (CAS 385-00-2) has the molecular formula C7H4F2O2 and a molecular weight of 158.02 g/mol. It is also known as 2,6-DIFLUOROBENZOIC ACID and Benzoic acid, 2,6-difluoro-.
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 2,6-Difluorobenzoic acid
Property Insights of 2,6-Difluorobenzoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Difluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,6-Difluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Difluorobenzoic acid has 1 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 2,6-Difluorobenzoic acid?
The CAS number of 2,6-Difluorobenzoic acid is 385-00-2.
What is the molecular formula of 2,6-Difluorobenzoic acid?
The molecular formula of 2,6-Difluorobenzoic acid is C7H4F2O2.
What is the molecular weight of 2,6-Difluorobenzoic acid?
The molecular weight of 2,6-Difluorobenzoic acid is 158.01793 g/mol.
What are the applications of 2,6-Difluorobenzoic acid?
2,6-Difluorobenzoic 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. CoreyChem supplies 2,6-Difluorobenzoic acid (CAS...
Where can I buy 2,6-Difluorobenzoic acid?
You can request a quote for 2,6-Difluorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Difluorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2,6-Difluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.