Benzenesulfonic Acid
TL;DR: Benzenesulfonic Acid (CAS 98-11-3) is a chemical compound with molecular formula C6H6O3S and molecular weight 158.00377 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzenesulfonic acid
Also Known As: BENZENESULFONIC ACID, Besylic acid, Phenylsulfonic acid, Benzenesulphonic acid, Benzene sulphonic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.00377 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.00377 Da |
| Heavy Atoms | 10 |
| Complexity | 184.0 |
| Melting Point | 109 to 111 °F (NTP, 1992) |
| Boiling Point | 190 °C |
| Density | Relative density (water = 1): 1.3 (47 °C) |
| Flash Point | 113 °C |
| Vapor Pressure | 0.0000236 [mmHg] |
| Solubility | 5 to 10 mg/mL at 72 °F (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | SRSXLGNVWSONIS-UHFFFAOYSA-N |
Product Description
Applications: Benzenesulfonic 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. CoreyChem supplies Benzenesulfonic Acid (CAS 98-11-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Benzenesulfonic Acid (CAS 98-11-3) has the molecular formula C6H6O3S and a molecular weight of 158 g/mol. Reported properties include a density of Relative density (water = 1): 1.3 (47 °C) g/cm³, a solubility: 5 to 10 mg/mL at 72 °F (NTP, 1992). It is also known as BENZENESULFONIC ACID and Besylic 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 Benzenesulfonic Acid
Property Insights of Benzenesulfonic Acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic Acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic Acid. Following Lipinski's Rule of Five, Benzenesulfonic 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 Benzenesulfonic Acid?
The CAS number of Benzenesulfonic Acid is 98-11-3.
What is the molecular formula of Benzenesulfonic Acid?
The molecular formula of Benzenesulfonic Acid is C6H6O3S.
What is the molecular weight of Benzenesulfonic Acid?
The molecular weight of Benzenesulfonic Acid is 158.00377 g/mol.
What are the applications of Benzenesulfonic Acid?
Benzenesulfonic 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. CoreyChem supplies Benzenesulfonic Acid (CAS 98-11-3)...
Where can I buy Benzenesulfonic Acid?
You can request a quote for Benzenesulfonic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenesulfonic Acid?
Yes, CoreyChem provides custom synthesis services for Benzenesulfonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.