3,4-Dinitrobenzoic acid
TL;DR: 3,4-Dinitrobenzoic acid (CAS 528-45-0) is a chemical compound with molecular formula C7H4N2O6 and molecular weight 212.00694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dinitrobenzoic acid
Also Known As: 3,4-DINITROBENZOIC ACID, Benzoic acid, 3,4-dinitro-, 3,4-Dinitrobenzioc acid, 3,4-dinitrobenzoate, zlchem 522
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4N2O6 |
| Molecular Weight | 212.00694 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.00694 Da |
| Heavy Atoms | 15 |
| Complexity | 293.0 |
| Vapor Pressure | 0.00000141 [mmHg] |
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OMVRRHJJQILIJX-UHFFFAOYSA-N |
Product Description
Applications: 3,4-Dinitrobenzoic 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 3,4-Dinitrobenzoic acid (CAS 528-45-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3,4-Dinitrobenzoic acid is a heterocyclic building block identified by CAS number 528-45-0 and the molecular formula C7H4N2O6 and a molecular weight of 212.01 g/mol. It is also known as 3,4-DINITROBENZOIC ACID and Benzoic acid, 3,4-dinitro-.
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 3,4-Dinitrobenzoic acid
Property Insights of 3,4-Dinitrobenzoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dinitrobenzoic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dinitrobenzoic acid. Following Lipinski's Rule of Five, 3,4-Dinitrobenzoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-Dinitrobenzoic acid?
The CAS number of 3,4-Dinitrobenzoic acid is 528-45-0.
What is the molecular formula of 3,4-Dinitrobenzoic acid?
The molecular formula of 3,4-Dinitrobenzoic acid is C7H4N2O6.
What is the molecular weight of 3,4-Dinitrobenzoic acid?
The molecular weight of 3,4-Dinitrobenzoic acid is 212.00694 g/mol.
What are the applications of 3,4-Dinitrobenzoic acid?
3,4-Dinitrobenzoic 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 3,4-Dinitrobenzoic acid (CAS...
Where can I buy 3,4-Dinitrobenzoic acid?
You can request a quote for 3,4-Dinitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dinitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3,4-Dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.