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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-[(trifluoroacetyl)amino]-

O=C(C(F)(F)F)Nc1ccc(cc1)C(=O)O Request for Quotation
Chemical Name: Benzoic acid, 4-[(trifluoroacetyl)amino]-
CAS Number: 404-26-2
Product Number: AG0072XB(AGN-PC-0JPAID)
Synonyms:
MDL No:
Molecular Formula: C9H6F3NO3
Molecular Weight: 233.1440

Identification/Properties

Computed Properties
Molecular Weight:
233.146g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
233.03g/mol
Monoisotopic Mass:
233.03g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
16
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

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H332
Precautionary Statements:
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The 4-(2,2,2-Trifluoroacetamido)benzoic acid is a versatile compound utilized in various chemical synthesis processes. Its unique structure, characterized by a trifluoroacetamido group attached to a benzoic acid moiety, imparts specific properties that make it valuable in different organic reactions.In chemical synthesis, 4-(2,2,2-Trifluoroacetamido)benzoic acid serves as a crucial building block for the preparation of novel pharmaceuticals, agrochemicals, and specialty chemicals. Its trifluoroacetamido group not only enhances the compound's stability but also influences its reactivity in diverse transformations.Due to its structural features, 4-(2,2,2-Trifluoroacetamido)benzoic acid can participate in reactions such as amidation, esterification, and nucleophilic substitution, leading to the formation of intricate molecular structures with tailored properties. Additionally, the presence of the benzoic acid scaffold offers opportunities for further functionalization, enabling the synthesis of more complex molecules.Moreover, the introduction of the trifluoroacetamido group in organic compounds can improve their bioavailability, lipophilicity, and metabolic stability, making 4-(2,2,2-Trifluoroacetamido)benzoic acid a valuable tool for medicinal chemistry applications.Overall, the strategic incorporation of 4-(2,2,2-Trifluoroacetamido)benzoic acid in chemical synthesis enables the efficient construction of diverse molecular architectures with enhanced properties, showcasing its significance in advancing the field of organic chemistry.