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CAS 1233520-92-7

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2-Chloro-1-ethynyl-4-methylbenzene

Description:
2-Chloro-1-ethynyl-4-methylbenzene, also known as 4-methyl-2-chloro-1-ethynylbenzene, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a chloro group and an ethynyl group. The presence of the chloro substituent introduces polarity, while the ethynyl group contributes to the compound's reactivity, particularly in coupling reactions. This compound typically exhibits a colorless to pale yellow appearance and has a distinct aromatic odor. It is generally insoluble in water but soluble in organic solvents, reflecting its hydrophobic nature. The compound's reactivity can be attributed to the presence of the triple bond in the ethynyl group, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and cross-coupling reactions. Safety precautions should be taken when handling this substance, as it may pose health risks, including irritation to the skin and respiratory system. Proper storage in a cool, dry place away from light is recommended to maintain its stability.
Formula:C9H7Cl
InChI:InChI=1S/C9H7Cl/c1-3-8-5-4-7(2)6-9(8)10/h1,4-6H,2H3
InChI key:InChIKey=UJQYQXVYEKPINY-UHFFFAOYSA-N
SMILES:C(#C)C1=C(Cl)C=C(C)C=C1
Synonyms:
  • 2-Chloro-1-ethynyl-4-methylbenzene
  • 2-Chloro-4-methylphenylacetylene
  • Benzene, 2-chloro-1-ethynyl-4-methyl-
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