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CAS 80336-66-9

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2-Chloro-1-[4-(2-methylpropyl)phenyl]-1-propanone

Description:
2-Chloro-1-[4-(2-methylpropyl)phenyl]-1-propanone, with the CAS number 80336-66-9, is an organic compound characterized by its ketone functional group and the presence of a chlorine atom. This compound features a propanone backbone, where a chlorine atom is substituted at the second carbon, and a para-substituted phenyl group with a branched alkyl chain (2-methylpropyl) at the fourth position. The molecular structure contributes to its potential reactivity and solubility properties, making it of interest in various chemical applications, including synthesis and as an intermediate in organic chemistry. The presence of both the chlorine atom and the bulky 2-methylpropyl group can influence its physical properties, such as boiling point and polarity. Additionally, the compound may exhibit specific biological activities, which could be relevant in pharmaceutical research. Safety data should be consulted for handling and usage, as halogenated compounds can pose health and environmental risks.
Formula:C13H17ClO
InChI:InChI=1S/C13H17ClO/c1-9(2)8-11-4-6-12(7-5-11)13(15)10(3)14/h4-7,9-10H,8H2,1-3H3
InChI key:InChIKey=GIHSMBINQBEFLD-UHFFFAOYSA-N
SMILES:C(C(C)Cl)(=O)C1=CC=C(CC(C)C)C=C1
Synonyms:
  • 1-Chloroethyl 4-isobutylphenyl ketone
  • 1-Propanone, 2-chloro-1-[4-(2-methylpropyl)phenyl]-
  • 2-Chloro-1-[4-(2-Methylpropyl)Phenyl]Propan-1-One
  • 2-Chloro-1-[4-(2-methylpropyl)phenyl]-1-propanone
  • 2-Chloro-p-isobutylpropiophenone
  • α-Chloro-p-isobutylpropiophenone
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