4-Chlorobenzenesulfonyl chloride
TL;DR: 4-Chlorobenzenesulfonyl chloride (CAS 98-60-2) is a chemical compound with molecular formula C6H4Cl2O2S and molecular weight 209.93091 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chlorobenzenesulfonyl chloride
Also Known As: 4-Chlorobenzenesulfonyl chloride, 4-chlorobenzene-1-sulfonyl chloride, null, Benzenesulfonyl chloride, 4-chloro-, p-Chlorophenylsulfonyl chloride
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4Cl2O2S |
| Molecular Weight | 209.93091 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.93091 Da |
| Heavy Atoms | 11 |
| Complexity | 211.0 |
| Melting Point | 55 °C |
| Boiling Point | 141 °C @ 15 MM HG |
| Vapor Pressure | 0.00117 [mmHg] |
| Solubility | VERY SOL IN ETHER & BENZENE |
| SMILES | C1=CC(=CC=C1S(=O)(=O)Cl)Cl |
| InChIKey | ZLYBFBAHAQEEQQ-UHFFFAOYSA-N |
Product Description
Applications: 4-Chlorobenzenesulfonyl chloride 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).
4-Chlorobenzenesulfonyl chloride is a heterocyclic building block identified by CAS number 98-60-2 and the molecular formula C6H4Cl2O2S and a molecular weight of 209.93 g/mol. Physically, the compound has a solubility: VERY SOL IN ETHER & BENZENE. Synonyms include 4-Chlorobenzenesulfonyl chloride and 4-chlorobenzene-1-sulfonyl chloride.
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 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
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 209.93091 g/mol.
What are the applications of 4-Chlorobenzenesulfonyl chloride?
4-Chlorobenzenesulfonyl chloride 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...
Where can I buy 4-Chlorobenzenesulfonyl chloride?
You can request a quote for 4-Chlorobenzenesulfonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlorobenzenesulfonyl chloride?
Yes, CoreyChem provides custom synthesis services for 4-Chlorobenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.