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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)-

7-bromo-4H-chromen-3-one

O=C1COc2c(C1)ccc(c2)Br Request for Quotation
Chemical Name: 7-bromo-4H-chromen-3-one
CAS Number: 944904-11-4
Product Number: AG00H6CT(AGN-PC-0HHMCQ)
Synonyms:
MDL No:
Molecular Formula: C9H7BrO2
Molecular Weight: 227.0547

Identification/Properties

Computed Properties
Molecular Weight:
227.057g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
225.963g/mol
Monoisotopic Mass:
225.963g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


7-Bromochroman-3-one, also known as 7-bromo-3H-chromen-3-one, is a versatile compound frequently employed in the realm of chemical synthesis. Its strategic placement of a bromine atom on the chromanone ring confers unique reactivity profiles, making it a valuable building block in the creation of various chemical compounds. In synthetic chemistry, 7-bromochroman-3-one serves as a crucial intermediate for the construction of diverse heterocyclic structures and complex organic molecules. Its bromine functionality enables selective transformations, such as nucleophilic substitutions and metal-catalyzed cross-coupling reactions, facilitating the efficient synthesis of biologically active compounds, pharmaceuticals, and advanced materials. Furthermore, the chromanone scaffold of 7-bromochroman-3-one imparts structural diversity and molecular complexity, offering opportunities for the development of novel chemical entities with tailored properties and functionalities. Consequently, this compound is indispensable for the advancement of modern synthetic methodologies and the exploration of new frontiers in chemical research.