Benzeneacetic acid, a-bromo-4-chloro-


Chemical Name: Benzeneacetic acid, a-bromo-4-chloro-
CAS Number: 3381-73-5
Product Number: AG003NRW(AGN-PC-0R9AV7)
Synonyms:
MDL No:
Molecular Formula: C8H6BrClO2
Molecular Weight: 249.4890

Identification/Properties


Properties
MP:
95-99 °C
BP:
326.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
249.488g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
247.924g/mol
Monoisotopic Mass:
247.924g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
166
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


NMR Spectrum


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Chemical Structure



α-Bromo-4-chlorophenylacetic acid is a versatile compound used in chemical synthesis for its unique properties and reactivity. This compound can be utilized as a key intermediate in the preparation of various pharmaceuticals, agrochemicals, and advanced materials. Its bromo and chloro substituents impart specific characteristics that make it valuable in the synthesis of complex organic molecules. In particular, α-Bromo-4-chlorophenylacetic acid is known for its ability to undergo selective functional group transformations, enabling the synthesis of structurally diverse compounds with tailored properties. Whether employed in medicinal chemistry to develop novel drug candidates or in material science for creating specialized polymers, this compound plays a crucial role in advancing the field of chemical synthesis.