2-Chloro-5-nitrobenzenesulfonic acid
TL;DR: 2-Chloro-5-nitrobenzenesulfonic acid (CAS 96-73-1) is a chemical compound with molecular formula C6H4ClNO5S and molecular weight 236.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-nitrobenzenesulfonic acid
Also Known As: 2-Chloro-5-nitrobenzenesulfonic acid, Benzenesulfonic acid, 2-chloro-5-nitro-, 2-Chloro-5-nitrobenzenesulphonic acid, 3-Sulfo-4-chloronitrobenzene, 2-chloro-5-nitro-benzenesulfonic acid
| Molecular Formula | C6H4ClNO5S |
|---|---|
| Molecular Weight | 236.95 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.94987 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 96-73-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)Cl |
| InChIKey | GNTARUIZNIWBCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-5-nitrobenzenesulfonic acid (CAS 96-73-1), with molecular formula C6H4ClNO5S and molecular weight 236.95 g/mol. IUPAC: 2-chloro-5-nitrobenzenesulfonic acid.
Chemical Property Profile of 2-Chloro-5-nitrobenzenesulfonic acid
Property Insights of 2-Chloro-5-nitrobenzenesulfonic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-nitrobenzenesulfonic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-nitrobenzenesulfonic acid. Following Lipinski's Rule of Five, 2-Chloro-5-nitrobenzenesulfonic acid has 1 hydrogen bond donor(s) and 5 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-Chloro-5-nitrobenzenesulfonic acid?
The CAS number of 2-Chloro-5-nitrobenzenesulfonic acid is 96-73-1.
What is the molecular formula of 2-Chloro-5-nitrobenzenesulfonic acid?
The molecular formula of 2-Chloro-5-nitrobenzenesulfonic acid is C6H4ClNO5S.
What is the molecular weight of 2-Chloro-5-nitrobenzenesulfonic acid?
The molecular weight of 2-Chloro-5-nitrobenzenesulfonic acid is 236.95 g/mol.
Where can I buy 2-Chloro-5-nitrobenzenesulfonic acid?
You can request a quote for 2-Chloro-5-nitrobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-nitrobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-nitrobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.