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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Methanesulfonic acid, trifluoro-, phenyl ester

FC(S(=O)(=O)Oc1ccccc1)(F)F Request for Quotation
Chemical Name: Methanesulfonic acid, trifluoro-, phenyl ester
CAS Number: 17763-67-6
Product Number: AG0025FR(AGN-PC-0JSPNI)
Synonyms:
MDL No:
Molecular Formula: C7H5F3O3S
Molecular Weight: 226.1730

Identification/Properties

Properties
BP:
233.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.435(lit.)
Computed Properties
Molecular Weight:
226.169g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
225.991g/mol
Monoisotopic Mass:
225.991g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
272
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:
Danger
UN#:
2927
Hazard Statements:
H301-H311-H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
6.1,8
Packing Group:
Ⅱ

NMR Spectrum

Other Analytical Data

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Chemical Structure


Phenyl trifluoromethanesulfonate is a versatile and powerful reagent commonly used in chemical synthesis. Its unique chemical properties make it particularly valuable in various synthetic processes. One of the key applications of Phenyl trifluoromethanesulfonate is as a strong electrophile in reactions involving C-H activation. This reagent is known for its ability to functionalize aromatic and heteroaromatic compounds through direct C-H bond activation processes, enabling the efficient formation of new carbon-carbon or carbon-heteroatom bonds. Additionally, Phenyl trifluoromethanesulfonate is often employed in the synthesis of pharmaceuticals, agrochemicals, and materials due to its capacity to introduce the trifluoromethylsulfonyl group into a wide range of organic molecules. Its high reactivity and selectivity in various transformations make it a valuable tool for chemists seeking to construct complex molecular structures with precision and efficiency. Beyond these applications, Phenyl trifluoromethanesulfonate also serves as a valuable reagent in the preparation of functional materials and in the development of new synthetic methodologies, highlighting its importance in advancing the field of organic chemistry.