Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)
TL;DR: Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1) (CAS 17691-19-9) is a chemical compound with molecular formula C6H3ClNNaO5S and molecular weight 258.93182 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 4-chloro-3-nitrobenzenesulfonate
Also Known As: sodium 4-chloro-3-nitrobenzenesulfonate, 4-Chloro-3-nitrobenzenesulfonic acid, sodium salt, Sodium 3-nitro-4-chlorobenzenesulfonate, Sodium 4-chloro-3-nitrobenzenesulphonate, sodium;4-chloro-3-nitrobenzenesulfonate
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H3ClNNaO5S |
| Molecular Weight | 258.93182 g/mol |
| XLogP | -1.84 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.93182 Da |
| Heavy Atoms | 15 |
| Complexity | 305.0 |
| SMILES | C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])Cl.[Na+] |
| InChIKey | POUGKTDTYSAMAT-UHFFFAOYSA-M |
Chemical Property Profile of Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)
Property Insights of Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)
The XLogP value of -1.84 indicates that Benzenesulfonic acid, 4-chloro-3-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, 4-chloro-3-nitro-, sodium salt (1:1). Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-chloro-3-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
What is the CAS number of Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)?
The CAS number of Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1) is 17691-19-9.
What is the molecular formula of Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)?
The molecular formula of Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1) is C6H3ClNNaO5S.
What is the molecular weight of Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)?
The molecular weight of Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1) is 258.93182 g/mol.
Where can I buy Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)?
You can request a quote for Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)?
Yes, CoreyChem provides custom synthesis services for Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.