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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)-

Benzoic acid, 4-fluoro-3-(methylsulfonyl)-, methyl ester

COC(=O)c1ccc(c(c1)S(=O)(=O)C)F Request for Quotation
Chemical Name: Benzoic acid, 4-fluoro-3-(methylsulfonyl)-, methyl ester
CAS Number: 160819-39-6
Product Number: AG001VE2(AGN-PC-0N9YOA)
Synonyms:
MDL No: MFCD20491420
Molecular Formula: C9H9FO4S
Molecular Weight: 232.2288

Identification/Properties

Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
232.225g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
232.021g/mol
Monoisotopic Mass:
232.021g/mol
Topological Polar Surface Area:
68.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
333
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 4-fluoro-3-(methylsulfonyl)benzoate is a versatile compound widely employed in chemical synthesis. This particular molecule plays a crucial role in the formation of various complex organic compounds due to its unique structure and reactivity. In chemical synthesis, Methyl 4-fluoro-3-(methylsulfonyl)benzoate can act as a key building block in the creation of pharmaceuticals, agrochemicals, and advanced materials. Its fluoro group confers different properties compared to non-fluorinated analogs, making it valuable for introducing specific functionalities into target molecules. Additionally, the presence of the methylsulfonyl group enhances the compound's stability and can facilitate various chemical transformations.Moreover, Methyl 4-fluoro-3-(methylsulfonyl)benzoate can participate in various reactions such as Suzuki coupling, nucleophilic substitution, and transition metal-catalyzed processes to access diverse chemical structures. Its ability to undergo selective transformations under mild conditions makes it a valuable tool for synthetic chemists aiming to access complex molecular architectures efficiently.Overall, Methyl 4-fluoro-3-(methylsulfonyl)benzoate serves as a valuable intermediate in chemical synthesis, enabling the construction of intricate organic molecules with specific properties for a wide range of applications.