Ethanol, 2-[2-(2,2,2-trifluoroethoxy)phenoxy]-, methanesulfonate


Chemical Name: Ethanol, 2-[2-(2,2,2-trifluoroethoxy)phenoxy]-, methanesulfonate
CAS Number: 160969-03-9
Product Number: AG001VJH(AGN-PC-0O4LMD)
Synonyms:
MDL No:
Molecular Formula: C11H13F3O5S
Molecular Weight: 314.2781

Identification/Properties


Computed Properties
Molecular Weight:
314.28g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
7
Exact Mass:
314.043579g/mol
Monoisotopic Mass:
314.043579g/mol
Topological Polar Surface Area:
70.2Ų
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
377
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-(2-(2,2,2-Trifluoroethoxy)phenoxy)ethyl methanesulfonate, commonly referred to as "TFEPES", is a versatile compound primarily utilized as a sulfonating agent in various chemical synthesis processes. In organic chemistry, TFEPES is often employed for its ability to introduce the methanesulfonyl (Ms) functional group into organic molecules under mild reaction conditions. This sulfonating agent is particularly valuable in modifying the reactivity and physical properties of organic compounds, as the Ms group can be easily manipulated for further derivatization and functional group transformations. TFEPES is commonly utilized in the synthesis of pharmaceutical intermediates, agrochemicals, and materials science applications due to its versatility and ease of use in sulfonation reactions. Its selective sulfonating properties make it a valuable tool for organic chemists seeking to introduce the methanesulfonyl group with precision and control.