CAS 86239-01-2
:Benzoic acid, 4-(bromomethyl)-3-fluoro-, ethyl ester
Description:
Benzoic acid, 4-(bromomethyl)-3-fluoro-, ethyl ester, identified by CAS number 86239-01-2, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a bromomethyl group and a fluorine atom positioned on the aromatic ring, contributing to its unique reactivity and properties. Typically, esters like this one are known for their pleasant odors and are often used in flavoring and fragrance applications. The presence of the bromomethyl and fluoro substituents can enhance the compound's biological activity and influence its solubility in various solvents. Additionally, the molecular structure suggests potential applications in pharmaceuticals or agrochemicals, where such modifications can lead to improved efficacy or specificity. As with many halogenated compounds, safety considerations regarding toxicity and environmental impact are essential when handling or using this substance. Overall, the characteristics of this compound make it a subject of interest in both synthetic chemistry and applied sciences.
Formula:C10H10BrFO2
InChI:InChI=1S/C10H10BrFO2/c1-2-14-10(13)7-3-4-8(6-11)9(12)5-7/h3-5H,2,6H2,1H3
InChI key:InChIKey=AUOGOIJBXMKMNK-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(F)=C(CBr)C=C1
Synonyms:- Benzoic acid, 4-(bromomethyl)-3-fluoro-, ethyl ester
- Ethyl 4-(bromomethyl)-3-fluorobenzoate
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