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CAS 19387-83-8

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2-(Chloromethyl)-5-(1,1-dimethylethyl)-1,3-dimethylbenzene

Description:
2-(Chloromethyl)-5-(1,1-dimethylethyl)-1,3-dimethylbenzene, also known as a chloromethyl derivative of a dimethyl-substituted toluene, is an organic compound characterized by its aromatic structure and the presence of a chloromethyl group. This compound features a benzene ring with two methyl groups and a tert-butyl group, contributing to its hydrophobic nature and potential steric hindrance. The chloromethyl group introduces reactivity, making it a useful intermediate in organic synthesis, particularly in the formation of other functional groups through nucleophilic substitution reactions. The presence of chlorine can also influence the compound's physical properties, such as boiling point and solubility. Typically, compounds of this nature are utilized in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Safety considerations should be taken into account due to the reactivity of the chloromethyl group, which can pose hazards in handling and storage. Overall, this compound exemplifies the complexity and utility of chlorinated aromatic compounds in chemical synthesis.
Formula:C13H19Cl
InChI:InChI=1S/C13H19Cl/c1-9-6-11(13(3,4)5)7-10(2)12(9)8-14/h6-7H,8H2,1-5H3
InChI key:InChIKey=SELSXVIZHNFFRV-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=CC(C)=C(CCl)C(C)=C1
Synonyms:
  • 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene
  • 2-(Chloromethyl)-5-(1,1-dimethylethyl)-1,3-dimethylbenzene
  • 5-Tert-Butyl-2-(Chloromethyl)-1,3-Dimethylbenzene
  • Benzene, 2-(chloromethyl)-5-(1,1-dimethylethyl)-1,3-dimethyl-
  • Benzene, 5-tert-butyl-2-(chloromethyl)-1,3-dimethyl-
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