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CAS 951888-59-8

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2-Fluoro-4-(2-methyl-2-propen-1-yl)benzonitrile

Description:
2-Fluoro-4-(2-methyl-2-propen-1-yl)benzonitrile, with the CAS number 951888-59-8, is an organic compound characterized by its aromatic structure, which includes a fluorine atom and a benzonitrile functional group. The presence of the fluoro substituent typically influences the compound's reactivity and polarity, while the benzonitrile moiety contributes to its potential applications in pharmaceuticals and agrochemicals. The 2-methyl-2-propen-1-yl group introduces a branched alkene, which can enhance the compound's steric properties and may affect its interaction with biological targets. This compound is likely to be a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. Its solubility in organic solvents and limited solubility in water is common for such aromatic compounds. Additionally, the presence of the nitrile group suggests potential for further chemical reactivity, making it a candidate for various synthetic applications. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C11H10FN
InChI:InChI=1S/C11H10FN/c1-8(2)5-9-3-4-10(7-13)11(12)6-9/h3-4,6H,1,5H2,2H3
InChI key:InChIKey=JNDZMSWFHWIKRS-UHFFFAOYSA-N
SMILES:C(#N)C1=C(F)C=C(CC(C)=C)C=C1
Synonyms:
  • Benzonitrile, 2-fluoro-4-(2-methyl-2-propen-1-yl)-
  • 2-Fluoro-4-(2-methyl-2-propen-1-yl)benzonitrile
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