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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)-

Benzo[b]thiophene-2-carboxylic acid, 7-(trifluoromethyl)-

OC(=O)c1cc2c(s1)c(ccc2)C(F)(F)F Request for Quotation
Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 7-(trifluoromethyl)-
CAS Number: 550998-66-8
Product Number: AG00E8D3(AGN-PC-01NH91)
Synonyms:
MDL No:
Molecular Formula: C10H5F3O2S
Molecular Weight: 246.2057

Identification/Properties

Computed Properties
Molecular Weight:
246.203g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
245.996g/mol
Monoisotopic Mass:
245.996g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
292
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


7-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid is a versatile compound commonly employed in chemical synthesis as a building block for the creation of various organic molecules. Due to the presence of the trifluoromethyl group and the benzo[b]thiophene backbone, this compound exhibits unique reactivity and properties that make it highly desirable in the field of synthetic chemistry. In particular, 7-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid is utilized in the development of pharmaceuticals, agrochemicals, and materials science applications. Its structure allows for the introduction of the trifluoromethyl moiety into target molecules, imparting desired characteristics such as increased lipophilicity, metabolic stability, and bioactivity. Furthermore, the presence of the benzo[b]thiophene scaffold confers aromaticity and electron-rich properties, enabling diverse functionalization and facilitating the construction of complex molecular frameworks. By serving as a key intermediate in organic synthesis, this compound plays a crucial role in the creation of advanced chemical structures with tailored properties for various industrial and scientific purposes.