Ethyl trifluoromethanesulfonate

• CAS: 425-75-2
• Catalog Number: ACM425752
• Category: Organic Phosphine Compounds
• Molecular Weight: 178.12
• Molecular Formula: C₃H₅F₃O₃S
• Synonyms: Ethyl Triflate; Ethyl trifluoromethanesulphonate; Trifluoromethanesulfonic Acid Ethyl Ester; Trifluoromethanesulfonic acid ethyl ester; ethyltrifluoromethane sulfonate; ethyltriflate
• IUPAC Name: ethyltrifluoromethanesulfonate
• Canonical SMILES: CCOS(=O)(=O)C(F)(F)F
• InChI Key: UVECLJDRPFNRRQ-UHFFFAOYSA-N
• Boiling Point: 115ºC
• Flash Point: 96
• Density: 1.374
• Appearance: colorless liguid
• Application: Ethyl trifluoromethanesulfonate serves as a highly effective ethylating agent due to the potent electron-withdrawing properties of the trifluoromethanesulfonyl group, which grants it significantly higher reactivity compared to traditional alkylation reagents like bichloride or alkyl sulfonate. It is widely utilized as a cationic polymerization agent in the production of synthetic resins such as polyurethane and polyacrylate. Additionally, it plays a valuable role in medical treatments, demonstrating efficacy against HIV infection and chronic bronchitis. In vitro studies have revealed its capability to inhibit the replication of the HIV-1 virus at concentrations as low as 1 μM, although the precise mechanism behind its anti-HIV effects, potentially involving the inhibition of reverse transcriptase or proteases, remains undetermined. After administration, ethyl trifluoromethanesulfonate can be detected in the body for up to 4 hours, eventually being metabolized into trifluoroacetic acid through the action of esterases, glycosidases, and/or oxidases.
• EC Number: 207-037-3
• Exact Mass: 177.99100
• Hazard Statements: C:Corrosive
• Packing Group: II
• Safety Description: S16-S26-S36/37/39-S45
• WGK Germany: 2

Custom Q&A

What is the molecular formula of Ethyl trifluoromethanesulfonate?

The molecular formula of Ethyl trifluoromethanesulfonate is C3H5F3O3S.

What is the molecular weight of Ethyl trifluoromethanesulfonate?

The molecular weight of Ethyl trifluoromethanesulfonate is 178.13 g/mol.

What is the IUPAC name of Ethyl trifluoromethanesulfonate?

The IUPAC name of Ethyl trifluoromethanesulfonate is ethyl trifluoromethanesulfonate.

What is the chemical structure of Ethyl trifluoromethanesulfonate?

The chemical structure of Ethyl trifluoromethanesulfonate is C-COS(=O)(=O)C(F)(F)F.

What is the CAS number of Ethyl trifluoromethanesulfonate?

The CAS number of Ethyl trifluoromethanesulfonate is 425-75-2.

What is the EC number of Ethyl trifluoromethanesulfonate?

The EC number of Ethyl trifluoromethanesulfonate is 207-037-3.

What is the hydrogen bond donor count of Ethyl trifluoromethanesulfonate?

The hydrogen bond donor count of Ethyl trifluoromethanesulfonate is 0.

What is the hydrogen bond acceptor count of Ethyl trifluoromethanesulfonate?

The hydrogen bond acceptor count of Ethyl trifluoromethanesulfonate is 6.

What is the topological polar surface area of Ethyl trifluoromethanesulfonate?

The topological polar surface area of Ethyl trifluoromethanesulfonate is 51.8Ų.

Is Ethyl trifluoromethanesulfonate a canonicalized compound?

Yes, Ethyl trifluoromethanesulfonate is a canonicalized compound.