4-Toluenesulfonyl chloride
TL;DR: 4-Toluenesulfonyl chloride (CAS 98-59-9) is a chemical compound with molecular formula C7H7ClO2S and molecular weight 189.98553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylbenzenesulfonyl chloride
Also Known As: Tosyl chloride, P-TOLUENESULFONYL CHLORIDE, p-Tosyl chloride, 4-Methylbenzenesulfonyl chloride, tosylchloride
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7ClO2S |
| Molecular Weight | 189.98553 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.98553 Da |
| Heavy Atoms | 11 |
| Complexity | 209.0 |
| Melting Point | 69-71 °C |
| Boiling Point | 146 °C @ 15 MM HG |
| Density | 1.3 g/cm³ |
| Flash Point | 128 °C c.c. |
| Vapor Pressure | Vapor pressure, Pa at 25 °C: 0.16 |
| Solubility | INSOL IN WATER; FREELY SOL IN ALCOHOL, BENZENE, ETHER |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)Cl |
| InChIKey | YYROPELSRYBVMQ-UHFFFAOYSA-N |
Product Description
Applications: 4-Toluenesulfonyl 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).
4-Toluenesulfonyl chloride (CAS 98-59-9) is a heterocyclic building block with the molecular formula C7H7ClO2S and a molecular weight of 189.99 g/mol. Key physical properties include a density of 1.3 g/cm³ g/cm³, a solubility: INSOL IN WATER; FREELY SOL IN ALCOHOL, BENZENE, ETHER. Synonyms include Tosyl chloride and P-TOLUENESULFONYL 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 4-Toluenesulfonyl chloride
Property Insights of 4-Toluenesulfonyl chloride
The XLogP value of 3.0 indicates that 4-Toluenesulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 4-Toluenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Toluenesulfonyl 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 4-Toluenesulfonyl chloride?
The CAS number of 4-Toluenesulfonyl chloride is 98-59-9.
What is the molecular formula of 4-Toluenesulfonyl chloride?
The molecular formula of 4-Toluenesulfonyl chloride is C7H7ClO2S.
What is the molecular weight of 4-Toluenesulfonyl chloride?
The molecular weight of 4-Toluenesulfonyl chloride is 189.98553 g/mol.
What are the applications of 4-Toluenesulfonyl chloride?
4-Toluenesulfonyl 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...
Where can I buy 4-Toluenesulfonyl chloride?
You can request a quote for 4-Toluenesulfonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Toluenesulfonyl chloride?
Yes, CoreyChem provides custom synthesis services for 4-Toluenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.