CAS 74331-72-9

4-Chloro-2-ethynyl-1-methylbenzene

Description:

4-Chloro-2-ethynyl-1-methylbenzene, also known by its CAS number 74331-72-9, is an organic compound characterized by its aromatic structure, which includes a chlorobenzene ring substituted with both an ethynyl group and a methyl group. The presence of the chlorine atom introduces a polar functional group, which can influence the compound's reactivity and solubility. The ethynyl group contributes to the compound's potential for further chemical reactions, particularly in coupling reactions or as a building block in organic synthesis. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. Its applications may include use in the synthesis of pharmaceuticals, agrochemicals, or as an intermediate in organic chemistry. Safety data indicates that, like many chlorinated compounds, it should be handled with care due to potential toxicity and environmental concerns. Proper storage and disposal methods are essential to mitigate any risks associated with its use.

Formula: C₉H₇Cl

InChI: InChI=1S/C9H7Cl/c1-3-8-6-9(10)5-4-7(8)2/h1,4-6H,2H3

InChI key: InChIKey=QQHSALVTGUSGAV-UHFFFAOYSA-N

SMILES: C(#C)C1=C(C)C=CC(Cl)=C1

Synonyms:

• Benzene, 4-chloro-2-ethynyl-1-methyl-
• 1-(5-Chloro-2-methylphenyl)acetylene
• 4-Chloro-2-ethynyl-1-methylbenzene