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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-, 2-(4-bromophenyl)-2-oxoethyl ester

O=C(c1ccc(cc1)Br)COS(=O)(=O)C(F)(F)F Request for Quotation
Chemical Name: Methanesulfonic acid, trifluoro-, 2-(4-bromophenyl)-2-oxoethyl ester
CAS Number: 93128-04-2
Product Number: AG00GRE4(AGN-PC-0JMJZU)
Synonyms:
MDL No:
Molecular Formula: C9H6BrF3O4S
Molecular Weight: 347.1057496

Identification/Properties

Computed Properties
Molecular Weight:
347.102g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
345.912g/mol
Monoisotopic Mass:
345.912g/mol
Topological Polar Surface Area:
68.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
393
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#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:
Ⅱ

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-(4-Bromophenyl)-2-oxoethyl trifluoromethanesulfonate is a versatile chemical compound commonly used in chemical synthesis for various applications. This compound serves as an important reagent in organic chemistry due to its unique properties and functionalities. It is frequently employed as a key building block in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals.In chemical synthesis, 2-(4-Bromophenyl)-2-oxoethyl trifluoromethanesulfonate acts as an efficient acylating agent, facilitating the introduction of the 4-Bromophenyl and trifluoromethanesulfonyl groups into organic molecules. This reagent is particularly valuable in the modification of organic compounds to enhance their biological activity or physical properties. Its trifluoromethanesulfonyl group can serve as a leaving group in nucleophilic substitution reactions, allowing for the selective functionalization of specific positions within a molecule.Moreover, the presence of the bromophenyl moiety in 2-(4-Bromophenyl)-2-oxoethyl trifluoromethanesulfonate enables cross-coupling reactions with various nucleophiles, further expanding its utility in synthetic chemistry. By using this compound strategically in chemical transformations, chemists can access structurally diverse compounds that are otherwise challenging to synthesize.Overall, the application of 2-(4-Bromophenyl)-2-oxoethyl trifluoromethanesulfonate in chemical synthesis plays a crucial role in enabling the efficient and precise synthesis of complex organic molecules with tailored functionalities, thereby advancing research in medicinal chemistry, materials science, and related fields.