4-bromo-7-chloroisoquinoline


Chemical Name: 4-bromo-7-chloroisoquinoline
CAS Number: 953421-72-2
Product Number: AG00IIZX(AGN-PC-0BLDHH)
Synonyms:
MDL No:
Molecular Formula: C9H5BrClN
Molecular Weight: 242.4997

Identification/Properties


Computed Properties
Molecular Weight:
242.5g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
240.929g/mol
Monoisotopic Mass:
240.929g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
165
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-H315-H320-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Bromo-7-chloroisoquinoline is a versatile compound that finds wide application in chemical synthesis as a key building block. Its unique structure offers a range of reactivity and functional group compatibility, making it prized in the production of various pharmaceuticals, agrochemicals, and organic intermediates. The presence of both bromine and chlorine substituents on the isoquinoline scaffold enables diverse synthetic pathways, including cross-coupling reactions, nucleophilic substitutions, and metal-catalyzed transformations. This compound's utility extends to the creation of complex heterocyclic frameworks, such as fused ring systems and biologically active molecules. Chemists utilize 4-Bromo-7-chloroisoquinoline as a strategic tool for strategic bond formations and structural modifications, enabling the efficient synthesis of novel compounds with desired properties and activities.