4-Chloro-3,5-dinitrobenzenesulphonic acid
TL;DR: 4-Chloro-3,5-dinitrobenzenesulphonic acid (CAS 88-91-5) is a chemical compound with molecular formula C6H3ClN2O7S and molecular weight 281.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3,5-dinitrobenzenesulfonic acid
Also Known As: 4-Chloro-3,5-dinitrobenzenesulfonic acid, 4-Chloro-3,5-dinitrobenzenesulphonic acid, Benzenesulfonic acid, 4-chloro-3,5-dinitro-, Benzenesulfonic acid,5-dinitro-, Benzenesulfonic acid,4-chloro-3,5-dinitro-
| Molecular Formula | C6H3ClN2O7S |
|---|---|
| Molecular Weight | 281.93 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.93494 |
| Heavy Atoms | 17 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 88-91-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])S(=O)(=O)O |
| InChIKey | ALVPDCHBQRCKRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-3,5-dinitrobenzenesulphonic acid (CAS 88-91-5), with molecular formula C6H3ClN2O7S and molecular weight 281.93 g/mol. IUPAC: 4-chloro-3,5-dinitrobenzenesulfonic acid.
Chemical Property Profile of 4-Chloro-3,5-dinitrobenzenesulphonic acid
Property Insights of 4-Chloro-3,5-dinitrobenzenesulphonic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3,5-dinitrobenzenesulphonic acid. The TPSA of 154.0 Ų indicates high polarity, suggesting 4-Chloro-3,5-dinitrobenzenesulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Chloro-3,5-dinitrobenzenesulphonic acid has 1 hydrogen bond donor(s) and 7 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 4-Chloro-3,5-dinitrobenzenesulphonic acid?
The CAS number of 4-Chloro-3,5-dinitrobenzenesulphonic acid is 88-91-5.
What is the molecular formula of 4-Chloro-3,5-dinitrobenzenesulphonic acid?
The molecular formula of 4-Chloro-3,5-dinitrobenzenesulphonic acid is C6H3ClN2O7S.
What is the molecular weight of 4-Chloro-3,5-dinitrobenzenesulphonic acid?
The molecular weight of 4-Chloro-3,5-dinitrobenzenesulphonic acid is 281.93 g/mol.
Where can I buy 4-Chloro-3,5-dinitrobenzenesulphonic acid?
You can request a quote for 4-Chloro-3,5-dinitrobenzenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3,5-dinitrobenzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3,5-dinitrobenzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.