Benzenesulfonamide, 4-bromo-2-chloro-


Chemical Name: Benzenesulfonamide, 4-bromo-2-chloro-
CAS Number: 351003-59-3
Product Number: AG003KW8(AGN-PC-0KK6Q3)
Synonyms:
MDL No:
Molecular Formula: C6H5BrClNO2S
Molecular Weight: 270.5314

Identification/Properties


Properties
MP:
172-176 °C(lit.);
BP:
390.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
270.525g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
268.891g/mol
Monoisotopic Mass:
268.891g/mol
Topological Polar Surface Area:
68.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
251
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:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



The 4-Bromo-2-chlorobenzenesulfonamide is a versatile compound used in chemical synthesis for its unique reactivity and functional group compatibility. This compound serves as a valuable building block in organic chemistry reactions, particularly in the formation of complex molecules and pharmaceutical intermediates. Its sulfonamide group confers enhanced water solubility and bioavailability, making it an ideal candidate for medicinal chemistry applications. Additionally, the presence of bromine and chlorine substituents provides opportunities for selective functionalization and further derivatization, allowing for the creation of diverse chemical scaffolds. In synthesis, 4-Bromo-2-chlorobenzenesulfonamide is commonly employed as a nucleophilic or electrophilic reactant, participating in key bond-forming reactions such as nucleophilic substitution, Suzuki coupling, and cross-coupling reactions. Its strategic placement of halogen atoms facilitates regioselective transformations and enables the synthesis of complex molecules with high efficiency and precision. By harnessing the reactivity and structural features of 4-Bromo-2-chlorobenzenesulfonamide, chemists can access a wide array of chemical transformations and expedite the synthesis of target molecules with desired properties and activities.