4-Chloro-3,5-dinitrobenzoic acid
TL;DR: 4-Chloro-3,5-dinitrobenzoic acid (CAS 118-97-8) is a chemical compound with molecular formula C7H3ClN2O6 and molecular weight 245.96796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3,5-dinitrobenzoic acid
Also Known As: 4-CHLORO-3,5-DINITROBENZOIC ACID, 3,5-Dinitro-4-chlorobenzoic acid, Glicondamide, Benzoic acid, 4-chloro-3,5-dinitro-, Benzoicacid, 4-chloro-3,5-dinitro-
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H3ClN2O6 |
| Molecular Weight | 245.96796 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.96796 Da |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
| Vapor Pressure | 0.00000032 [mmHg] |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O |
| InChIKey | PCTFIHOVQYYAMH-UHFFFAOYSA-N |
Product Description
Applications: 4-Chloro-3,5-dinitrobenzoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Chloro-3,5-dinitrobenzoic acid (CAS 118-97-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, 4-Chloro-3,5-dinitrobenzoic acid (CAS 118-97-8) has the molecular formula C7H3ClN2O6 and a molecular weight of 245.97 g/mol. It is also known as 4-CHLORO-3,5-DINITROBENZOIC ACID and 3,5-Dinitro-4-chlorobenzoic 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-Chloro-3,5-dinitrobenzoic acid
Property Insights of 4-Chloro-3,5-dinitrobenzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3,5-dinitrobenzoic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3,5-dinitrobenzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3,5-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 4-Chloro-3,5-dinitrobenzoic acid?
The CAS number of 4-Chloro-3,5-dinitrobenzoic acid is 118-97-8.
What is the molecular formula of 4-Chloro-3,5-dinitrobenzoic acid?
The molecular formula of 4-Chloro-3,5-dinitrobenzoic acid is C7H3ClN2O6.
What is the molecular weight of 4-Chloro-3,5-dinitrobenzoic acid?
The molecular weight of 4-Chloro-3,5-dinitrobenzoic acid is 245.96796 g/mol.
What are the applications of 4-Chloro-3,5-dinitrobenzoic acid?
4-Chloro-3,5-dinitrobenzoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 4-Chloro-3,5-dinitrobenzoic acid?
You can request a quote for 4-Chloro-3,5-dinitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-3,5-dinitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.