Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)
TL;DR: Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) (CAS 80-41-1) is a chemical compound with molecular formula C9H11ClO3S and molecular weight 234.01175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl 4-methylbenzenesulfonate
Also Known As: 2-Chloroethyl p-toluenesulfonate, 2-Chloroethyl 4-methylbenzenesulfonate, 2-Chloroethyl tosylate, 2-Chloroethyl p-tosylate, 2-Tosyloxyethyl chloride
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11ClO3S |
| Molecular Weight | 234.01175 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.01175 Da |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCl |
| InChIKey | ZXNMIUJDTOMBPV-UHFFFAOYSA-N |
Product Description
Applications: Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) 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).
Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) (CAS 80-41-1) is a heterocyclic building block with the molecular formula C9H11ClO3S and a molecular weight of 234.01 g/mol. Synonyms include 2-Chloroethyl p-toluenesulfonate and 2-Chloroethyl 4-methylbenzenesulfonate.
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 Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)
Property Insights of Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate). With a topological polar surface area (TPSA) of 51.8 Ų, Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) 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 Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)?
The CAS number of Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) is 80-41-1.
What is the molecular formula of Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)?
The molecular formula of Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) is C9H11ClO3S.
What is the molecular weight of Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)?
The molecular weight of Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) is 234.01175 g/mol.
What are the applications of Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)?
Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) 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...
Where can I buy Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)?
You can request a quote for Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)?
Yes, CoreyChem provides custom synthesis services for Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.