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CAS 21886-62-4

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2-Chloro-1-[4-(1,1-dimethylethyl)phenyl]ethanone

Description:
2-Chloro-1-[4-(1,1-dimethylethyl)phenyl]ethanone, with the CAS number 21886-62-4, is an organic compound characterized by its ketone functional group and the presence of a chlorine atom. This compound features a chloro substituent on the first carbon of the ethanone moiety, while the phenyl group is further substituted with a bulky tert-butyl group, which significantly influences its physical and chemical properties. Typically, such compounds exhibit moderate to low solubility in water but may be soluble in organic solvents like ethanol and acetone. The presence of the chlorine atom can impart unique reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. Additionally, the bulky tert-butyl group can affect steric hindrance, influencing the compound's reactivity and interactions with other molecules. This compound may find applications in organic synthesis, pharmaceuticals, or as an intermediate in the production of more complex chemical entities. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.
Formula:C12H15ClO
InChI:InChI=1S/C12H15ClO/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7H,8H2,1-3H3
InChI key:InChIKey=LTHPBRNHHJIQME-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=CC=C(C(CCl)=O)C=C1
Synonyms:
  • 1-(4-Tert-Butylphenyl)-2-Chloroethanone
  • 1-(4-tert-Butyl-phenyl)-2-chloro-ethanone
  • 1-(4-tert-Butylphenyl)-2-chloroethan-1-one
  • 2-Chloro-1-(4-tert-butylphenyl)ethanone
  • 2-Chloro-1-[4-(1,1-dimethylethyl)phenyl]ethanone
  • 2-Chloro-4′-tert-butylacetophenone
  • 4'-Tert-Butyl-2-Chloroacetophenone
  • Acetophenone, 4′-tert-butyl-2-chloro-
  • Ethanone, 2-chloro-1-[4-(1,1-dimethylethyl)phenyl]-
  • NSC 23491
  • See more synonyms
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