Sodium 4-chloro-5-nitrotoluene-3-sulphonate
TL;DR: Sodium 4-chloro-5-nitrotoluene-3-sulphonate (CAS 71501-32-1) is a chemical compound with molecular formula C7H5ClNNaO5S and molecular weight 272.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-chloro-5-methyl-3-nitrobenzenesulfonate
Also Known As: EINECS 275-562-5, Sodium 4-chloro-5-nitrotoluene-3-sulphonate, sodium4-chloro-5-nitrotoluene-3-sulphonate, sodium 2-chloro-5-methyl-3-nitrobenzenesulfonate, 2-Chloro-5-methyl-3-nitrobenzenesulfonic acid sodium salt
| Molecular Formula | C7H5ClNNaO5S |
|---|---|
| Molecular Weight | 272.95 g/mol |
| LogP | -1.53528 |
| Topological Polar Surface Area | 100.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.94748 |
| Heavy Atoms | 16 |
| Complexity | 529.82385 |
Chemical Identifiers
| CAS Number | 71501-32-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)S(=O)(=O)[O-])Cl)[N+](=O)[O-].[Na+] |
Product Overview
Sodium 4-chloro-5-nitrotoluene-3-sulphonate (CAS 71501-32-1), with molecular formula C7H5ClNNaO5S and molecular weight 272.95 g/mol. IUPAC: sodium 2-chloro-5-methyl-3-nitrobenzenesulfonate.
Chemical Property Profile of Sodium 4-chloro-5-nitrotoluene-3-sulphonate
Property Insights of Sodium 4-chloro-5-nitrotoluene-3-sulphonate
The XLogP value of -1.53528 indicates that Sodium 4-chloro-5-nitrotoluene-3-sulphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 4-chloro-5-nitrotoluene-3-sulphonate. Following Lipinski's Rule of Five, Sodium 4-chloro-5-nitrotoluene-3-sulphonate 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 Sodium 4-chloro-5-nitrotoluene-3-sulphonate?
The CAS number of Sodium 4-chloro-5-nitrotoluene-3-sulphonate is 71501-32-1.
What is the molecular formula of Sodium 4-chloro-5-nitrotoluene-3-sulphonate?
The molecular formula of Sodium 4-chloro-5-nitrotoluene-3-sulphonate is C7H5ClNNaO5S.
What is the molecular weight of Sodium 4-chloro-5-nitrotoluene-3-sulphonate?
The molecular weight of Sodium 4-chloro-5-nitrotoluene-3-sulphonate is 272.95 g/mol.
Where can I buy Sodium 4-chloro-5-nitrotoluene-3-sulphonate?
You can request a quote for Sodium 4-chloro-5-nitrotoluene-3-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 4-chloro-5-nitrotoluene-3-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 4-chloro-5-nitrotoluene-3-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.