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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)-

Benzene, 1-fluoro-4-[(trifluoromethyl)sulfonyl]-

Fc1ccc(cc1)S(=O)(=O)C(F)(F)F Request for Quotation
Chemical Name: Benzene, 1-fluoro-4-[(trifluoromethyl)sulfonyl]-
CAS Number: 944-30-9
Product Number: AG006B2L(AGN-PC-0KYL1D)
Synonyms:
MDL No:
Molecular Formula: C7H4F4O2S
Molecular Weight: 228.1641

Identification/Properties

Computed Properties
Molecular Weight:
228.161g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
227.987g/mol
Monoisotopic Mass:
227.987g/mol
Topological Polar Surface Area:
42.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
282
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


1-Fluoro-4-trifluoromethanesulfonylbenzene, commonly known as $name$, is a versatile compound widely used in chemical synthesis. Its unique structure and properties make it an essential building block in numerous organic reactions.One of the key applications of 1-Fluoro-4-trifluoromethanesulfonylbenzene is as a powerful electrophilic fluorinating agent. Due to the presence of the fluorine atom and the trifluoromethanesulfonyl group, this compound can efficiently introduce fluorine atoms into various organic molecules. This capability is particularly valuable in medicinal chemistry, where the introduction of fluorine can significantly enhance the biological activity and metabolic stability of pharmaceutical compounds.Additionally, 1-Fluoro-4-trifluoromethanesulfonylbenzene serves as a vital precursor in the synthesis of fluorinated building blocks used in the production of specialty chemicals, agrochemicals, and materials science. Its ability to selectively functionalize aromatic rings with fluorine atoms makes it an indispensable tool for chemists working in the fields of drug discovery, materials design, and chemical process development.Overall, the diverse utility of 1-Fluoro-4-trifluoromethanesulfonylbenzene in chemical synthesis highlights its importance as a valuable reagent for creating innovative and functionalized organic molecules.