4-Methylbenzenesulfonyl fluoride
TL;DR: 4-Methylbenzenesulfonyl fluoride (CAS 455-16-3) is a chemical compound with molecular formula C7H7FO2S and molecular weight 174.01508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylbenzenesulfonyl fluoride
Also Known As: p-TOLUENESULFONYL FLUORIDE, Tosyl fluoride, 4-Methylbenzenesulfonyl fluoride, 4-Toluenesulfonyl fluoride, p-toluenesulfonylfluoride
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7FO2S |
| Molecular Weight | 174.01508 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.01508 Da |
| Heavy Atoms | 11 |
| Complexity | 209.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)F |
| InChIKey | IZZYABADQVQHLC-UHFFFAOYSA-N |
Product Description
Applications: 4-Methylbenzenesulfonyl fluoride 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-Methylbenzenesulfonyl fluoride is a heterocyclic building block identified by CAS number 455-16-3 and the molecular formula C7H7FO2S and a molecular weight of 174.02 g/mol. Synonyms include p-TOLUENESULFONYL FLUORIDE and Tosyl fluoride.
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-Methylbenzenesulfonyl fluoride
Property Insights of 4-Methylbenzenesulfonyl fluoride
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylbenzenesulfonyl fluoride. With a topological polar surface area (TPSA) of 42.5 Ų, 4-Methylbenzenesulfonyl fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylbenzenesulfonyl fluoride has 0 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 4-Methylbenzenesulfonyl fluoride?
The CAS number of 4-Methylbenzenesulfonyl fluoride is 455-16-3.
What is the molecular formula of 4-Methylbenzenesulfonyl fluoride?
The molecular formula of 4-Methylbenzenesulfonyl fluoride is C7H7FO2S.
What is the molecular weight of 4-Methylbenzenesulfonyl fluoride?
The molecular weight of 4-Methylbenzenesulfonyl fluoride is 174.01508 g/mol.
What are the applications of 4-Methylbenzenesulfonyl fluoride?
4-Methylbenzenesulfonyl fluoride 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...
Where can I buy 4-Methylbenzenesulfonyl fluoride?
You can request a quote for 4-Methylbenzenesulfonyl fluoride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylbenzenesulfonyl fluoride?
Yes, CoreyChem provides custom synthesis services for 4-Methylbenzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.