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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)-

4-bromo-1-benzofuran-3-one

O=C1COc2c1c(Br)ccc2 Request for Quotation
Chemical Name: 4-bromo-1-benzofuran-3-one
CAS Number: 1020966-78-2
Product Number: AG0006M5(AGN-PC-07CSXR)
Synonyms:
MDL No:
Molecular Formula: C8H5BrO2
Molecular Weight: 213.0281

Identification/Properties

Computed Properties
Molecular Weight:
213.03g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
211.947g/mol
Monoisotopic Mass:
211.947g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
181
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Bromobenzofuran-3(2H)-one is a versatile building block in chemical synthesis, commonly utilized for its unique reactivity and functional group compatibility. In organic synthesis, it serves as a key intermediate in the preparation of various pharmaceuticals, agrochemicals, and functional materials. Its distinct structure allows for controlled functionalization through a range of reactions, enabling the formation of complex molecular structures with high efficiency. Additionally, 4-Bromobenzofuran-3(2H)-one can undergo cyclization and cross-coupling reactions, making it valuable in the synthesis of heterocyclic compounds and natural product derivatives. Its utility lies in its ability to participate in diverse synthetic pathways, making it an essential tool for chemists working in medicinal chemistry, materials science, and organic synthesis research.