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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-fluoro-

OC(=O)c1cc2c(s1)c(F)ccc2 Request for Quotation
Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 7-fluoro-
CAS Number: 550998-67-9
Product Number: AG00DCMC(AGN-PC-01XG4H)
Synonyms:
MDL No:
Molecular Formula: C9H5FO2S
Molecular Weight: 196.1982

Identification/Properties

Properties
MP:
255-258°C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
196.195g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
195.999g/mol
Monoisotopic Mass:
195.999g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
222
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:
H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


7-Fluorobenzo[b]thiophene-2-carboxylic acid is a versatile compound widely used in chemical synthesis as a key building block for the creation of various pharmaceuticals, agrochemicals, and materials. Its unique structure and properties make it an important intermediate in the synthesis of biologically active molecules and functional materials. In organic synthesis, 7-Fluorobenzo[b]thiophene-2-carboxylic acid can serve as a precursor for the introduction of fluorine atoms into organic molecules, a crucial modification that can significantly impact the bioactivity and stability of the final products. Additionally, its benzothiophene core can impart desirable electronic and structural properties to the target molecules, making it a valuable tool for medicinal chemists and material scientists alike.