Methanone, (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-


Chemical Name: Methanone, (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-
CAS Number: 3562-84-3
Product Number: AG003AX3(AGN-PC-0JK67C)
Synonyms:
MDL No:
Molecular Formula: C17H12Br2O3
Molecular Weight: 424.0834

Identification/Properties


Properties
MP:
151°
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.6010 (estimate)
Computed Properties
Molecular Weight:
424.088g/mol
XLogP3:
5.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
423.913g/mol
Monoisotopic Mass:
421.915g/mol
Topological Polar Surface Area:
50.4A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
405
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methanone, (3,​5-​dibromo-​4-​hydroxyphenyl)​(2-​ethyl-​3-​benzofuranyl), is a versatile compound utilized in chemical synthesis for a variety of applications. This compound serves as a key building block in the creation of complex organic molecules due to its unique structural characteristics and reactivity. Specifically, it is commonly employed in the synthesis of pharmaceuticals, agrochemicals, and materials science.The presence of the hydroxyphenyl and benzofuranyl groups in the molecule enables it to participate in a range of chemical reactions, including nucleophilic substitution, oxidation, and reduction processes. By strategically manipulating these functional groups, chemists can introduce specific molecular modifications to achieve desired properties in the final products. This compound also acts as a valuable intermediate in the preparation of bioactive molecules and fine chemicals.Additionally, the dibromo substitution pattern in Methanone facilitates further derivatization through cross-coupling reactions, allowing for the incorporation of diverse functional groups. This versatility makes Methanone, (3,​5-​dibromo-​4-​hydroxyphenyl)​(2-​ethyl-​3-​benzofuranyl), a valuable tool in the synthesis of complex organic compounds with tailored structures and properties.