4-Hydroxybenzenesulfonic acid
TL;DR: 4-Hydroxybenzenesulfonic acid (CAS 98-67-9) is a chemical compound with molecular formula C6H6O4S and molecular weight 173.99867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxybenzenesulfonic acid
Also Known As: 4-Hydroxybenzenesulfonic acid, p-Phenolsulfonic acid, phenolsulfonic acid, 4-Phenolsulfonic acid, Sulfocarbolic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6O4S |
| Molecular Weight | 173.99867 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.99867 Da |
| Heavy Atoms | 11 |
| Complexity | 207.0 |
| Density | 1.337 |
| Vapor Pressure | 0.00000033 [mmHg] |
| Refractive Index | Index of Refraction = 1.4890 at 20 °C |
| Solubility | MISCIBLE WITH WATER, ALCOHOL |
| SMILES | C1=CC(=CC=C1O)S(=O)(=O)O |
| InChIKey | FEPBITJSIHRMRT-UHFFFAOYSA-N |
Product Description
Applications: 4-Hydroxybenzenesulfonic acid is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Hydroxybenzenesulfonic acid (CAS 98-67-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Hydroxybenzenesulfonic acid (CAS 98-67-9) is a agrochemical intermediate with the molecular formula C6H6O4S and a molecular weight of 174 g/mol. Key physical properties include a density of 1.337 g/cm³, a solubility: MISCIBLE WITH WATER, ALCOHOL. It is also known as 4-Hydroxybenzenesulfonic acid and p-Phenolsulfonic 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 4-Hydroxybenzenesulfonic acid
Property Insights of 4-Hydroxybenzenesulfonic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxybenzenesulfonic acid. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxybenzenesulfonic acid. Following Lipinski's Rule of Five, 4-Hydroxybenzenesulfonic acid has 2 hydrogen bond donor(s) and 4 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-Hydroxybenzenesulfonic acid?
The CAS number of 4-Hydroxybenzenesulfonic acid is 98-67-9.
What is the molecular formula of 4-Hydroxybenzenesulfonic acid?
The molecular formula of 4-Hydroxybenzenesulfonic acid is C6H6O4S.
What is the molecular weight of 4-Hydroxybenzenesulfonic acid?
The molecular weight of 4-Hydroxybenzenesulfonic acid is 173.99867 g/mol.
What are the applications of 4-Hydroxybenzenesulfonic acid?
4-Hydroxybenzenesulfonic acid is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 4-Hydroxybenzenesulfonic acid?
You can request a quote for 4-Hydroxybenzenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxybenzenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxybenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.