2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid
TL;DR: 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid (CAS 78350-48-8) is a chemical compound with molecular formula C8H3Cl2NO6 and molecular weight 278.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichloro-3-nitroterephthalic acid
Also Known As: 2,5-dichloro-3-nitroterephthalic acid, 2,5-Dichlor-3-nitro-terephthalsaeure, 2,5-dichloro-3-nitro-terephthalic acid, 2,5-dichloro-3-nitrobenzene-1,4-dicarboxylic acid, 2,5-dichloro-3-nitro-benzene-1,4-dicarboxylic acid
| Molecular Formula | C8H3Cl2NO6 |
|---|---|
| Molecular Weight | 278.93 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.93375 |
| Heavy Atoms | 17 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 78350-48-8 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)C(=O)O)[N+](=O)[O-])Cl)C(=O)O |
| InChIKey | NSJLYUXYIKYXDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid (CAS 78350-48-8), with molecular formula C8H3Cl2NO6 and molecular weight 278.93 g/mol. IUPAC: 2,5-dichloro-3-nitroterephthalic acid.
Chemical Property Profile of 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid
Property Insights of 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid. Following Lipinski's Rule of Five, 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid?
The CAS number of 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid is 78350-48-8.
What is the molecular formula of 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid?
The molecular formula of 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid is C8H3Cl2NO6.
What is the molecular weight of 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid?
The molecular weight of 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid is 278.93 g/mol.
Where can I buy 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid?
You can request a quote for 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.