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CAS 210992-28-2

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5-Cyano-3-fluoroaniline

Description:
5-Cyano-3-fluoroaniline is an organic compound characterized by the presence of both a cyano group (-CN) and a fluoro group (-F) attached to an aniline structure. The molecular formula typically includes carbon, hydrogen, nitrogen, and fluorine atoms, reflecting its functional groups. This compound is known for its potential applications in pharmaceuticals and agrochemicals, often serving as an intermediate in the synthesis of more complex molecules. Its structure contributes to its reactivity, particularly in electrophilic aromatic substitution reactions, where the cyano and fluoro groups can influence the orientation and reactivity of further substitutions. Additionally, the presence of the cyano group can enhance the compound's solubility in polar solvents, while the fluoro group may impart unique electronic properties. Safety data sheets indicate that, like many anilines, it should be handled with care due to potential toxicity and environmental impact. Overall, 5-Cyano-3-fluoroaniline is a valuable compound in synthetic organic chemistry, with specific characteristics that make it suitable for various chemical applications.
Formula:C8H6BrF3S
InChI:InChI=1/C8H6BrF3S/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
SMILES:c1cc(ccc1CBr)SC(F)(F)F
Synonyms:
  • 5-Amino-3-fluorobenzonitrile
  • 3-Amino-5-Fluorobenzonitrile
  • 1-(Bromomethyl)-4-[(Trifluoromethyl)Sulfanyl]Benzene
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