1H-Inden-1-one, 4-bromo-2,3-dihydro-2-methyl-


Chemical Name: 1H-Inden-1-one, 4-bromo-2,3-dihydro-2-methyl-
CAS Number: 174702-59-1
Product Number: AG001ZW1(AGN-PC-0N665R)
Synonyms:
MDL No:
Molecular Formula: C10H9BrO
Molecular Weight: 225.0819

Identification/Properties


Computed Properties
Molecular Weight:
225.085g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
223.984g/mol
Monoisotopic Mass:
223.984g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
202
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Bromo-2-methyl-2,3-dihydro-1H-inden-1-one, also known by its chemical formula C10H9BrO, is a versatile compound commonly employed in chemical synthesis as a key building block for the production of various pharmaceuticals, agrochemicals, and materials. With its unique structure and reactivity, this compound plays a crucial role in the synthesis of complex organic molecules and functional materials.One of the primary applications of 4-Bromo-2-methyl-2,3-dihydro-1H-inden-1-one is in the synthesis of biologically active compounds such as pharmaceutical drugs. Its brominated indanone framework serves as a valuable structural motif in drug design, enabling the creation of novel molecules with potential therapeutic properties. By incorporating this compound into chemical synthesis pathways, researchers can access a diverse range of pharmacologically relevant molecules for drug discovery and development.Furthermore, 4-Bromo-2-methyl-2,3-dihydro-1H-inden-1-one is utilized in the preparation of agrochemicals, specifically in the development of crop protection agents and pesticides. Its functional groups can be selectively modified to introduce desired chemical properties, enhancing the efficacy and safety of agricultural products. By leveraging the synthetic capabilities of this compound, chemists can design innovative agrochemical solutions to address challenges in pest control and crop management.Moreover, this compound finds application in material science for the synthesis of advanced polymers, dyes, and organic electronic materials. Its versatile reactivity allows for the construction of intricate molecular architectures with tailored properties, enabling the production of high-performance materials for various industrial applications. Through strategic chemical synthesis strategies involving 4-Bromo-2-methyl-2,3-dihydro-1H-inden-1-one, researchers can engineer materials with enhanced functionalities and performance characteristics.In summary, 4-Bromo-2-methyl-2,3-dihydro-1H-inden-1-one serves as a valuable reagent in chemical synthesis for the development of pharmaceuticals, agrochemicals, and materials with diverse applications. Its structural features and versatile reactivity make it a versatile building block for creating complex organic molecules and functional materials with significant potential in the fields of medicine, agriculture, and materials science.