p-Chlorobenzenesulfonic acid
TL;DR: p-Chlorobenzenesulfonic acid (CAS 98-66-8) is a chemical compound with molecular formula C6H5ClO3S and molecular weight 191.9648 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chlorobenzenesulfonic acid
Also Known As: 4-CHLOROBENZENESULFONIC ACID, p-Chlorobenzenesulfonic acid, closylate, null, Benzenesulfonic acid, 4-chloro-
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5ClO3S |
| Molecular Weight | 191.9648 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.9648 Da |
| Heavy Atoms | 11 |
| Complexity | 210.0 |
| Melting Point | 67 °C |
| SMILES | C1=CC(=CC=C1S(=O)(=O)O)Cl |
| InChIKey | RJWBTWIBUIGANW-UHFFFAOYSA-N |
Product Description
Applications: p-Chlorobenzenesulfonic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
p-Chlorobenzenesulfonic acid (CAS 98-66-8) is a heterocyclic building block with the molecular formula C6H5ClO3S and a molecular weight of 191.96 g/mol. Synonyms include 4-CHLOROBENZENESULFONIC ACID and p-Chlorobenzenesulfonic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of p-Chlorobenzenesulfonic acid
Property Insights of p-Chlorobenzenesulfonic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Chlorobenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Chlorobenzenesulfonic acid. Following Lipinski's Rule of Five, p-Chlorobenzenesulfonic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of p-Chlorobenzenesulfonic acid?
The CAS number of p-Chlorobenzenesulfonic acid is 98-66-8.
What is the molecular formula of p-Chlorobenzenesulfonic acid?
The molecular formula of p-Chlorobenzenesulfonic acid is C6H5ClO3S.
What is the molecular weight of p-Chlorobenzenesulfonic acid?
The molecular weight of p-Chlorobenzenesulfonic acid is 191.9648 g/mol.
What are the applications of p-Chlorobenzenesulfonic acid?
p-Chlorobenzenesulfonic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy p-Chlorobenzenesulfonic acid?
You can request a quote for p-Chlorobenzenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Chlorobenzenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for p-Chlorobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.