p-Toluenesulfonic acid
TL;DR: p-Toluenesulfonic acid (CAS 104-15-4) is a chemical compound with molecular formula C7H8O3S and molecular weight 172.01941 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylbenzenesulfonic acid
Also Known As: 4-Methylbenzenesulfonic acid, P-TOLUENESULFONIC ACID, 4-Toluenesulfonic acid, Tosic acid, p-Toluenesulphonic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.01941 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.01941 Da |
| Heavy Atoms | 11 |
| Complexity | 206.0 |
| Melting Point | 221 °F (USCG, 1999) |
| Boiling Point | 140 °C @ 20 MM HG |
| Density | 1.45 at 77 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 363 °F (184 °C) (CLOSED CUP) |
| Vapor Pressure | 0.0000027 [mmHg] |
| Solubility | ABOUT 67 G/100 ML WATER; SOL IN ALCOHOL, ETHER |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | JOXIMZWYDAKGHI-UHFFFAOYSA-N |
Product Description
Applications: p-Toluenesulfonic 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, p-Toluenesulfonic acid (CAS 104-15-4) has the molecular formula C7H8O3S and a molecular weight of 172.02 g/mol. Reported properties include a density of 1.45 at 77 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: ABOUT 67 G/100 ML WATER; SOL IN ALCOHOL, ETHER. Synonyms include 4-Methylbenzenesulfonic acid and P-TOLUENESULFONIC 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 p-Toluenesulfonic acid
Property Insights of p-Toluenesulfonic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Toluenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Toluenesulfonic acid. Following Lipinski's Rule of Five, p-Toluenesulfonic 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 p-Toluenesulfonic acid?
The CAS number of p-Toluenesulfonic acid is 104-15-4.
What is the molecular formula of p-Toluenesulfonic acid?
The molecular formula of p-Toluenesulfonic acid is C7H8O3S.
What is the molecular weight of p-Toluenesulfonic acid?
The molecular weight of p-Toluenesulfonic acid is 172.01941 g/mol.
What are the applications of p-Toluenesulfonic acid?
p-Toluenesulfonic 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. Available from CoreyChem as both catalog item and...
Where can I buy p-Toluenesulfonic acid?
You can request a quote for p-Toluenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Toluenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for p-Toluenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
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p-Toluenesulfonic Acid (p-TsOH) (CAS 104-15-4) — Complete Guide to Properties and Applications
Category: Organic Acid Catalyst | Formula: C7H8O3S | MW: 172.20 g/mol