1H-Indole-2,3-dione, 1-[(4-bromophenyl)methyl]-


Chemical Name: 1H-Indole-2,3-dione, 1-[(4-bromophenyl)methyl]-
CAS Number: 79183-37-2
Product Number: AG00GAOT(AGN-PC-0KNRYF)
Synonyms:
MDL No:
Molecular Formula: C15H10BrNO2
Molecular Weight: 316.1494

Identification/Properties


Computed Properties
Molecular Weight:
316.154g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
314.989g/mol
Monoisotopic Mass:
314.989g/mol
Topological Polar Surface Area:
37.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
376
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-H330
Precautionary Statements:
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(4-Bromobenzyl)indole-2,3-dione is a versatile compound widely used in chemical synthesis due to its unique properties and reactivity. This compound serves as a key building block in the synthesis of various pharmaceuticals, agrochemicals, and functional materials.In chemical synthesis, 1-(4-Bromobenzyl)indole-2,3-dione acts as a valuable intermediate for the introduction of functional groups such as alkyl, aryl, and heterocyclic moieties. Its indole ring structure makes it a suitable precursor for the synthesis of indole derivatives, which are important substructures in many biologically active compounds.Furthermore, the bromobenzyl group in 1-(4-Bromobenzyl)indole-2,3-dione provides a convenient handle for further derivatization reactions, allowing for the incorporation of various substituents and modifications to tailor the molecule's properties for specific applications. This compound's reactivity and versatility make it a valuable tool for organic chemists seeking to design and develop new compounds with desired properties.