CAS 16503-47-2
:Methyl α-bromobenzenebutanoate
Description:
Methyl α-bromobenzenebutanoate, with the CAS number 16503-47-2, is an organic compound characterized by its ester functional group and the presence of a bromine atom. It features a butanoate chain attached to a bromobenzene moiety, which contributes to its reactivity and potential applications in organic synthesis. The compound is typically a colorless to pale yellow liquid, exhibiting a distinctive aromatic odor due to the bromobenzene component. Its molecular structure allows for various chemical reactions, including nucleophilic substitutions and coupling reactions, making it useful in the synthesis of more complex organic molecules. Methyl α-bromobenzenebutanoate is soluble in organic solvents but has limited solubility in water, reflecting its hydrophobic characteristics. Safety precautions should be taken when handling this compound, as it may pose health risks, including irritation to the skin and respiratory system. Proper storage in a cool, dry place away from light is recommended to maintain its stability and integrity.
Formula:C11H13BrO2
InChI:InChI=1S/C11H13BrO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChI key:InChIKey=UIZZMKUFGKXJNR-UHFFFAOYSA-N
SMILES:C(CC(C(OC)=O)Br)C1=CC=CC=C1
Synonyms:- Methyl 2-bromo-4-phenylbutyrate
- Methyl 2-bromo-4-phenylbutanoate
- Methyl α-bromobenzenebutanoate
- Butyric acid, 2-bromo-4-phenyl-, methyl ester
- Benzenebutanoic acid, α-bromo-, methyl ester
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