CAS 1000556-86-4
:3-Bromo-β-oxobenzenepropanoic acid
Description:
3-Bromo-β-oxobenzenepropanoic acid, identified by its CAS number 1000556-86-4, is an organic compound characterized by the presence of a bromine atom, a β-keto acid functional group, and a benzene ring. This compound typically exhibits a white to off-white crystalline appearance. The bromine substituent introduces notable reactivity, influencing its chemical behavior and potential applications in organic synthesis. The β-keto acid structure contributes to its acidity and can participate in various chemical reactions, such as condensation and decarboxylation. Additionally, the presence of the aromatic benzene ring can enhance the compound's stability and influence its solubility in organic solvents. 3-Bromo-β-oxobenzenepropanoic acid may be utilized in pharmaceutical research, agrochemical development, and as an intermediate in the synthesis of more complex organic molecules. Its specific properties, such as melting point, boiling point, and solubility, would need to be referenced from experimental data for precise applications.
Formula:C9H7BrO3
InChI:InChI=1S/C9H7BrO3/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4H,5H2,(H,12,13)
InChI key:InChIKey=SWMJEGPBNHRGBN-UHFFFAOYSA-N
SMILES:C(CC(O)=O)(=O)C1=CC(Br)=CC=C1
Synonyms:- 3-Bromo-β-oxobenzenepropanoic acid
- Benzenepropanoic acid, 3-bromo-β-oxo-
- 3-(3-Bromophenyl)-3-oxopropanoic acid
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