Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)
TL;DR: Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1) (CAS 946-30-5) is a chemical compound with molecular formula C6H3ClNNaO5S and molecular weight 258.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-chloro-5-nitrobenzenesulfonate
Also Known As: sodium 2-chloro-5-nitrobenzenesulfonate, Diphenyl sulfoxide, Sodium 2-chloro-5-nitrobenzenesulphonate, 2-Chloro-5-nitrobenzene Sodium Sulphonate, sodium;2-chloro-5-nitrobenzenesulfonate
| Molecular Formula | C6H3ClNNaO5S |
|---|---|
| Molecular Weight | 258.93 g/mol |
| LogP | -1.84 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.93182 |
| Heavy Atoms | 15 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 946-30-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])Cl.[Na+] |
| InChIKey | OUERFXCJVYJQJO-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1) (CAS 946-30-5), with molecular formula C6H3ClNNaO5S and molecular weight 258.93 g/mol. IUPAC: sodium 2-chloro-5-nitrobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)
Property Insights of Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)
The XLogP value of -1.84 indicates that Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1). Following Lipinski's Rule of Five, Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1) has 0 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 Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)?
The CAS number of Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1) is 946-30-5.
What is the molecular formula of Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)?
The molecular formula of Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1) is C6H3ClNNaO5S.
What is the molecular weight of Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)?
The molecular weight of Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1) is 258.93 g/mol.
Where can I buy Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)?
You can request a quote for Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.