Phthalonic acid
TL;DR: Phthalonic acid (CAS 528-46-1) is a chemical compound with molecular formula C9H6O5 and molecular weight 194.02153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
邻苯甲酰甲酸
2-oxalobenzoic acid
Also Known As: 2-(carboxycarbonyl)benzoic acid, 2-oxalobenzoic acid, PHTHALONIC ACID, phthalonicacid, Phthalonsaure
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6O5 |
| Molecular Weight | 194.02153 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.02153 Da |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)C(=O)O)C(=O)O |
| InChIKey | LFLOMAIEONDOLV-UHFFFAOYSA-N |
Product Description
Applications: Phthalonic 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).
Phthalonic acid (CAS 528-46-1) is a heterocyclic building block with the molecular formula C9H6O5 and a molecular weight of 194.02 g/mol. Synonyms include 2-(carboxycarbonyl)benzoic acid and 2-oxalobenzoic acid.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Phthalonic acid
Property Insights of Phthalonic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalonic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phthalonic acid. Following Lipinski's Rule of Five, Phthalonic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phthalonic acid?
The CAS number of Phthalonic acid is 528-46-1.
What is the molecular formula of Phthalonic acid?
The molecular formula of Phthalonic acid is C9H6O5.
What is the molecular weight of Phthalonic acid?
The molecular weight of Phthalonic acid is 194.02153 g/mol.
What are the applications of Phthalonic acid?
Phthalonic 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 Phthalonic acid?
You can request a quote for Phthalonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phthalonic acid?
Yes, CoreyChem provides custom synthesis services for Phthalonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.