4-Chlorobenzenesulfonyl chloride
TL;DR: 4-Chlorobenzenesulfonyl chloride (CAS 98-60-2) is a chemical compound with molecular formula C6H4Cl2O2S and molecular weight 209.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobenzenesulfonyl chloride
Also Known As: 4-Chlorobenzenesulfonyl chloride, 4-chlorobenzene-1-sulfonyl chloride, null, Benzenesulfonyl chloride, 4-chloro-, p-Chlorophenylsulfonyl chloride
| Molecular Formula | C6H4Cl2O2S |
|---|---|
| Molecular Weight | 209.93 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.93091 |
| Heavy Atoms | 11 |
| Complexity | 211.0 |
| Melting Point | 55 °C |
| Boiling Point | 141 °C @ 15 MM HG |
| Solubility | VERY SOL IN ETHER & BENZENE |
| Vapor Pressure | 0.00117 [mmHg] |
Chemical Identifiers
| CAS Number | 98-60-2 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)Cl)Cl |
| InChIKey | ZLYBFBAHAQEEQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorobenzenesulfonyl chloride (CAS 98-60-2), with molecular formula C6H4Cl2O2S and molecular weight 209.93 g/mol. IUPAC: 4-chlorobenzenesulfonyl chloride.
Chemical Property Profile of 4-Chlorobenzenesulfonyl chloride
Property Insights of 4-Chlorobenzenesulfonyl chloride
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzenesulfonyl chloride. With a topological polar surface area (TPSA) of 42.5 Ų, 4-Chlorobenzenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzenesulfonyl chloride has 0 hydrogen bond donor(s) and 2 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 4-Chlorobenzenesulfonyl chloride?
The CAS number of 4-Chlorobenzenesulfonyl chloride is 98-60-2.
What is the molecular formula of 4-Chlorobenzenesulfonyl chloride?
The molecular formula of 4-Chlorobenzenesulfonyl chloride is C6H4Cl2O2S.
What is the molecular weight of 4-Chlorobenzenesulfonyl chloride?
The molecular weight of 4-Chlorobenzenesulfonyl chloride is 209.93 g/mol.
Where can I buy 4-Chlorobenzenesulfonyl chloride?
You can request a quote for 4-Chlorobenzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.