2-Chlorophenyl 3,4-dimethylbenzenesulfonate
TL;DR: 2-Chlorophenyl 3,4-dimethylbenzenesulfonate (CAS 71795-99-8) is a chemical compound with molecular formula C14H13ClO3S and molecular weight 296.0274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chlorophenyl) 3,4-dimethylbenzenesulfonate
Also Known As: 2-chlorophenyl 3,4-dimethylbenzenesulfonate, (2-chlorophenyl) 3,4-dimethylbenzenesulfonate
Technical Specifications
| Molecular Formula | C14H13ClO3S |
| Molecular Weight | 296.0274 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0274 Da |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2Cl)C |
| InChIKey | IGZLYGMGLVPENB-UHFFFAOYSA-N |
Product Description
Applications: 2-Chlorophenyl 3,4-dimethylbenzenesulfonate is used in organic synthesis and process chemistry. 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 fine chemical supplied by CoreyChem, 2-Chlorophenyl 3,4-dimethylbenzenesulfonate (CAS 71795-99-8) has the molecular formula C14H13ClO3S and a molecular weight of 296.03 g/mol. Synonyms include 2-chlorophenyl 3,4-dimethylbenzenesulfonate and (2-chlorophenyl) 3,4-dimethylbenzenesulfonate.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate
Property Insights of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate
The XLogP value of 4.4 indicates that 2-Chlorophenyl 3,4-dimethylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Chlorophenyl 3,4-dimethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorophenyl 3,4-dimethylbenzenesulfonate 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 2-Chlorophenyl 3,4-dimethylbenzenesulfonate?
The CAS number of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate is 71795-99-8.
What is the molecular formula of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate?
The molecular formula of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate is C14H13ClO3S.
What is the molecular weight of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate?
The molecular weight of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate is 296.0274 g/mol.
What are the applications of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate?
2-Chlorophenyl 3,4-dimethylbenzenesulfonate is used in organic synthesis and process chemistry. 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...
Where can I buy 2-Chlorophenyl 3,4-dimethylbenzenesulfonate?
You can request a quote for 2-Chlorophenyl 3,4-dimethylbenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chlorophenyl 3,4-dimethylbenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for 2-Chlorophenyl 3,4-dimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.