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CAS 16017-25-7

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1-(3-Chloro-1-propyn-1-yl)-4-methylbenzene

Description:
1-(3-Chloro-1-propyn-1-yl)-4-methylbenzene, also known by its CAS number 16017-25-7, is an organic compound characterized by its aromatic structure, which includes a methyl group and a chloro-substituted propynyl group. This compound features a benzene ring with a methyl group at the para position and a propynyl group with a chlorine atom at the third carbon of the chain. The presence of the chlorine atom introduces reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The propynyl group contributes to the compound's unsaturation, which can influence its physical properties, such as boiling point and solubility. Typically, compounds of this nature are used in organic synthesis and may serve as intermediates in the production of pharmaceuticals or agrochemicals. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, the unique structure of 1-(3-Chloro-1-propyn-1-yl)-4-methylbenzene makes it a compound of interest in both academic and industrial chemistry.
Formula:C10H9Cl
InChI:InChI=1S/C10H9Cl/c1-9-4-6-10(7-5-9)3-2-8-11/h4-7H,8H2,1H3
InChI key:InChIKey=DAXCEJVRIAJDRD-UHFFFAOYSA-N
SMILES:C(#CCCl)C1=CC=C(C)C=C1
Synonyms:
  • Benzene, 1-(3-chloro-1-propyn-1-yl)-4-methyl-
  • 1-(3-Chloro-1-propyn-1-yl)-4-methylbenzene
  • Benzene, 1-(3-chloro-1-propynyl)-4-methyl-
  • Toluene, p-(3-chloro-1-propynyl)-
  • Propyne, 3-chloro-1-p-tolyl-
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