2,5-Dichloro-3-nitrobenzoic acid
TL;DR: 2,5-Dichloro-3-nitrobenzoic acid (CAS 88-86-8) is a chemical compound with molecular formula C7H3Cl2NO4 and molecular weight 234.94391 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dichloro-3-nitrobenzoic acid
Also Known As: 2,5-Dichloro-3-nitrobenzoic acid, DINOBEN, Caswell No. 312, BETP, 3-Nitro-2,5-dichlorobenzoic acid
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H3Cl2NO4 |
| Molecular Weight | 234.94391 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.94391 Da |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
| SMILES | C1=C(C=C(C(=C1C(=O)O)Cl)[N+](=O)[O-])Cl |
| InChIKey | AUAXYMOBWXOEQD-UHFFFAOYSA-N |
Product Description
Applications: 2,5-Dichloro-3-nitrobenzoic 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 2,5-Dichloro-3-nitrobenzoic acid (CAS 88-86-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2,5-Dichloro-3-nitrobenzoic acid (CAS 88-86-8) is a heterocyclic building block with the molecular formula C7H3Cl2NO4 and a molecular weight of 234.94 g/mol. It is also known as 2,5-Dichloro-3-nitrobenzoic acid and DINOBEN.
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 2,5-Dichloro-3-nitrobenzoic acid
Property Insights of 2,5-Dichloro-3-nitrobenzoic acid
The XLogP value of 3.3 indicates that 2,5-Dichloro-3-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dichloro-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 2,5-Dichloro-3-nitrobenzoic 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 2,5-Dichloro-3-nitrobenzoic acid?
The CAS number of 2,5-Dichloro-3-nitrobenzoic acid is 88-86-8.
What is the molecular formula of 2,5-Dichloro-3-nitrobenzoic acid?
The molecular formula of 2,5-Dichloro-3-nitrobenzoic acid is C7H3Cl2NO4.
What is the molecular weight of 2,5-Dichloro-3-nitrobenzoic acid?
The molecular weight of 2,5-Dichloro-3-nitrobenzoic acid is 234.94391 g/mol.
What are the applications of 2,5-Dichloro-3-nitrobenzoic acid?
2,5-Dichloro-3-nitrobenzoic 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...
Where can I buy 2,5-Dichloro-3-nitrobenzoic acid?
You can request a quote for 2,5-Dichloro-3-nitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Dichloro-3-nitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2,5-Dichloro-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.