o-Toluenesulfonyl chloride
TL;DR: o-Toluenesulfonyl chloride (CAS 133-59-5) 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.
2-methylbenzenesulfonyl chloride
Also Known As: o-Toluenesulfonyl chloride, 2-Methylbenzenesulfonyl chloride, o-Tosyl chloride, null, Toluenesulfonyl chloride
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7ClO2S |
| Molecular Weight | 189.98553 g/mol |
| XLogP | 2.3 |
| 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 | 217.0 |
| Melting Point | 10.2 °C |
| Boiling Point | 154 °C AT 36 MM HG |
| Density | 1.3383 AT 20 °C/4 °C |
| Refractive Index | SADTLER REF NUMBER: 10657 (IR, PRISM); INDEX OF REFRACTION: 1.5565 AT 20 °C/D |
| Solubility | INSOL IN WATER |
| SMILES | CC1=CC=CC=C1S(=O)(=O)Cl |
| InChIKey | HDECRAPHCDXMIJ-UHFFFAOYSA-N |
Product Description
Applications: o-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. CoreyChem supplies o-Toluenesulfonyl chloride (CAS 133-59-5) 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, o-Toluenesulfonyl chloride (CAS 133-59-5) has the molecular formula C7H7ClO2S and a molecular weight of 189.99 g/mol. Reported properties include a density of 1.3383 AT 20 °C/4 °C g/cm³, a solubility: INSOL IN WATER. It is also known as o-Toluenesulfonyl chloride and 2-Methylbenzenesulfonyl 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 o-Toluenesulfonyl chloride
Property Insights of o-Toluenesulfonyl chloride
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Toluenesulfonyl chloride. With a topological polar surface area (TPSA) of 42.5 Ų, o-Toluenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-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 o-Toluenesulfonyl chloride?
The CAS number of o-Toluenesulfonyl chloride is 133-59-5.
What is the molecular formula of o-Toluenesulfonyl chloride?
The molecular formula of o-Toluenesulfonyl chloride is C7H7ClO2S.
What is the molecular weight of o-Toluenesulfonyl chloride?
The molecular weight of o-Toluenesulfonyl chloride is 189.98553 g/mol.
What are the applications of o-Toluenesulfonyl chloride?
o-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. CoreyChem supplies o-Toluenesulfonyl chloride...
Where can I buy o-Toluenesulfonyl chloride?
You can request a quote for o-Toluenesulfonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Toluenesulfonyl chloride?
Yes, CoreyChem provides custom synthesis services for o-Toluenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.