p-Bromobenzenesulfonyl chloride
TL;DR: p-Bromobenzenesulfonyl chloride (CAS 98-58-8) is a chemical compound with molecular formula C6H4BrClO2S and molecular weight 253.88039 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromobenzenesulfonyl chloride
Also Known As: 4-Bromobenzenesulfonyl chloride, p-Bromobenzenesulfonyl chloride, 4-bromobenzene-1-sulfonyl chloride, null, brosyl chloride
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4BrClO2S |
| Molecular Weight | 253.88039 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.88039 Da |
| Heavy Atoms | 11 |
| Complexity | 213.0 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)Cl)Br |
| InChIKey | KMMHZIBWCXYAAH-UHFFFAOYSA-N |
Product Description
Applications: p-Bromobenzenesulfonyl 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. CoreyChem supplies p-Bromobenzenesulfonyl chloride (CAS 98-58-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
p-Bromobenzenesulfonyl chloride is a heterocyclic building block identified by CAS number 98-58-8 and the molecular formula C6H4BrClO2S and a molecular weight of 253.88 g/mol. It is also known as 4-Bromobenzenesulfonyl chloride and p-Bromobenzenesulfonyl 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 p-Bromobenzenesulfonyl chloride
Property Insights of p-Bromobenzenesulfonyl chloride
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Bromobenzenesulfonyl chloride. With a topological polar surface area (TPSA) of 42.5 Ų, p-Bromobenzenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Bromobenzenesulfonyl 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 p-Bromobenzenesulfonyl chloride?
The CAS number of p-Bromobenzenesulfonyl chloride is 98-58-8.
What is the molecular formula of p-Bromobenzenesulfonyl chloride?
The molecular formula of p-Bromobenzenesulfonyl chloride is C6H4BrClO2S.
What is the molecular weight of p-Bromobenzenesulfonyl chloride?
The molecular weight of p-Bromobenzenesulfonyl chloride is 253.88039 g/mol.
What are the applications of p-Bromobenzenesulfonyl chloride?
p-Bromobenzenesulfonyl 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. CoreyChem supplies p-Bromobenzenesulfonyl...
Where can I buy p-Bromobenzenesulfonyl chloride?
You can request a quote for p-Bromobenzenesulfonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Bromobenzenesulfonyl chloride?
Yes, CoreyChem provides custom synthesis services for p-Bromobenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.