Benzenesulfonyl chloride
TL;DR: Benzenesulfonyl chloride (CAS 98-09-9) is a chemical compound with molecular formula C6H5ClO2S and molecular weight 175.96988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzenesulfonyl chloride
Also Known As: BENZENESULFONYL CHLORIDE, Phenylsulfonyl chloride, Benzene sulfochloride, Benzenosulfochloride, Benzenosulfochlorek
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5ClO2S |
| Molecular Weight | 175.96988 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.96988 Da |
| Heavy Atoms | 10 |
| Complexity | 186.0 |
| Melting Point | 58.1 °F (USCG, 1999) |
| Boiling Point | 484.7 °F at 760 mmHg (USCG, 1999) |
| Density | 1.3842 at 59 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | greater than 233.6 °F (USCG, 1999) |
| Vapor Pressure | 0.06 [mmHg] |
| Solubility | INSOL IN WATER; SOL IN ETHER, ALCOHOL |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)Cl |
| InChIKey | CSKNSYBAZOQPLR-UHFFFAOYSA-N |
Product Description
Applications: Benzenesulfonyl 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).
Benzenesulfonyl chloride is a heterocyclic building block identified by CAS number 98-09-9 and the molecular formula C6H5ClO2S and a molecular weight of 175.97 g/mol. Physically, the compound has a density of 1.3842 at 59 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: INSOL IN WATER; SOL IN ETHER, ALCOHOL. Synonyms include BENZENESULFONYL CHLORIDE and Phenylsulfonyl 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 Benzenesulfonyl chloride
Property Insights of Benzenesulfonyl chloride
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonyl chloride. With a topological polar surface area (TPSA) of 42.5 Ų, Benzenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonyl 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 Benzenesulfonyl chloride?
The CAS number of Benzenesulfonyl chloride is 98-09-9.
What is the molecular formula of Benzenesulfonyl chloride?
The molecular formula of Benzenesulfonyl chloride is C6H5ClO2S.
What is the molecular weight of Benzenesulfonyl chloride?
The molecular weight of Benzenesulfonyl chloride is 175.96988 g/mol.
What are the applications of Benzenesulfonyl chloride?
Benzenesulfonyl 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...
Where can I buy Benzenesulfonyl chloride?
You can request a quote for Benzenesulfonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenesulfonyl chloride?
Yes, CoreyChem provides custom synthesis services for Benzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.