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CAS 1123172-38-2

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1-Bromo-3-(1,1-dimethylethyl)-5-fluorobenzene

Description:
1-Bromo-3-(1,1-dimethylethyl)-5-fluorobenzene is an organic compound characterized by its aromatic structure, which includes a bromine atom and a fluorine atom substituted on a benzene ring. The presence of the tert-butyl group (1,1-dimethylethyl) at the 3-position of the benzene ring contributes to its hydrophobic nature and steric bulk, influencing its reactivity and interactions with other molecules. This compound is typically a colorless to pale yellow liquid or solid, depending on temperature and purity. It is relatively stable under standard conditions but may undergo reactions typical of aromatic halides, such as nucleophilic substitution or electrophilic aromatic substitution. The bromine and fluorine substituents can enhance the compound's reactivity, making it useful in various synthetic applications, including pharmaceuticals and agrochemicals. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks. Overall, 1-Bromo-3-(1,1-dimethylethyl)-5-fluorobenzene is notable for its unique structural features and potential applications in organic synthesis.
Formula:C10H12BrF
InChI:InChI=1S/C10H12BrF/c1-10(2,3)7-4-8(11)6-9(12)5-7/h4-6H,1-3H3
InChI key:InChIKey=NEZOQSYMVSKUSO-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=CC(Br)=CC(F)=C1
Synonyms:
  • 1-Bromo-3-tert-butyl-5-fluorobenzene
  • 1-bromo-3-(tert-butyl)-5-fluorobenzene
  • 1-Bromo-3-(1,1-dimethylethyl)-5-fluorobenzene
  • Benzene, 1-bromo-3-(1,1-dimethylethyl)-5-fluoro-
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