Methyl triflate
TL;DR: Methyl triflate (CAS 333-27-7) is a chemical compound with molecular formula C2H3F3O3S and molecular weight 163.9755 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
三氟甲磺酸甲酯
methyl trifluoromethanesulfonate
Also Known As: Methyl trifluoromethanesulfonate, Methyl triflate, methyltriflate, methyl trifiate, triflate ester
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H3F3O3S |
| Molecular Weight | 163.9755 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.9755 Da |
| Heavy Atoms | 9 |
| Complexity | 172.0 |
| Boiling Point | 201 to 210 °F at 760 mmHg (NTP, 1992) |
| Density | 1.45 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 101 °F (NTP, 1992) |
| Solubility | Insoluble (NTP, 1992) |
| SMILES | COS(=O)(=O)C(F)(F)F |
| InChIKey | OIRDBPQYVWXNSJ-UHFFFAOYSA-N |
Product Description
Applications: Methyl triflate 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 Methyl triflate (CAS 333-27-7) 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, Methyl triflate (CAS 333-27-7) has the molecular formula C2H3F3O3S and a molecular weight of 163.98 g/mol. Reported properties include a density of 1.45 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: Insoluble (NTP, 1992). It is also known as Methyl trifluoromethanesulfonate and Methyl triflate.
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 Methyl triflate
Property Insights of Methyl triflate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl triflate. With a topological polar surface area (TPSA) of 51.8 Ų, Methyl triflate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl triflate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl triflate?
The CAS number of Methyl triflate is 333-27-7.
What is the molecular formula of Methyl triflate?
The molecular formula of Methyl triflate is C2H3F3O3S.
What is the molecular weight of Methyl triflate?
The molecular weight of Methyl triflate is 163.9755 g/mol.
What are the applications of Methyl triflate?
Methyl triflate 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 Methyl triflate (CAS 333-27-7) with...
Where can I buy Methyl triflate?
You can request a quote for Methyl triflate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl triflate?
Yes, CoreyChem provides custom synthesis services for Methyl triflate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.