6-Chloro-5-nitrotoluene-3-sulphonic acid
TL;DR: 6-Chloro-5-nitrotoluene-3-sulphonic acid (CAS 96-92-4) is a chemical compound with molecular formula C7H6ClNO5S and molecular weight 250.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-methyl-5-nitrobenzenesulfonic acid
Also Known As: NCIOpen2_002276, 6-Chloro-5-nitrotoluene-3-sulphonic acid, 4-chloro-3-methyl-5-nitrobenzenesulfonic acid, 6-chlor-5-nitrotoluen-3-sulfonsyre, 6-CHLORO-5-NITROTOLUENE-3-SULFONIC ACID
| Molecular Formula | C7H6ClNO5S |
|---|---|
| Molecular Weight | 250.97 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.96552 |
| Heavy Atoms | 15 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 96-92-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)[N+](=O)[O-])S(=O)(=O)O |
| InChIKey | OJTXHPQIEJMIJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-5-nitrotoluene-3-sulphonic acid (CAS 96-92-4), with molecular formula C7H6ClNO5S and molecular weight 250.97 g/mol. IUPAC: 4-chloro-3-methyl-5-nitrobenzenesulfonic acid.
Chemical Property Profile of 6-Chloro-5-nitrotoluene-3-sulphonic acid
Property Insights of 6-Chloro-5-nitrotoluene-3-sulphonic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-5-nitrotoluene-3-sulphonic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-5-nitrotoluene-3-sulphonic acid. Following Lipinski's Rule of Five, 6-Chloro-5-nitrotoluene-3-sulphonic 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 6-Chloro-5-nitrotoluene-3-sulphonic acid?
The CAS number of 6-Chloro-5-nitrotoluene-3-sulphonic acid is 96-92-4.
What is the molecular formula of 6-Chloro-5-nitrotoluene-3-sulphonic acid?
The molecular formula of 6-Chloro-5-nitrotoluene-3-sulphonic acid is C7H6ClNO5S.
What is the molecular weight of 6-Chloro-5-nitrotoluene-3-sulphonic acid?
The molecular weight of 6-Chloro-5-nitrotoluene-3-sulphonic acid is 250.97 g/mol.
Where can I buy 6-Chloro-5-nitrotoluene-3-sulphonic acid?
You can request a quote for 6-Chloro-5-nitrotoluene-3-sulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-5-nitrotoluene-3-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-5-nitrotoluene-3-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.