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CAS 3034-86-4

:

methyl 4-ethynylbenzoate

Description:
Methyl 4-ethynylbenzoate, with the CAS number 3034-86-4, is an organic compound characterized by its ester functional group and an ethynyl substituent on the aromatic ring. It features a methyl ester derived from 4-ethynylbenzoic acid, which contributes to its reactivity and potential applications in organic synthesis. The compound typically appears as a colorless to pale yellow liquid and has a distinct aromatic odor. Its structure includes a benzene ring substituted with an ethynyl group (–C≡CH) at the para position relative to the ester group (–COOCH3). Methyl 4-ethynylbenzoate is known for its utility in various chemical reactions, including polymerization and as an intermediate in the synthesis of more complex organic molecules. It is important to handle this compound with care, as it may pose health risks if inhaled or ingested, and appropriate safety measures should be taken during its use in laboratory settings.
Formula:C10H8O2
InChI:InChI=1/C10H8O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h1,4-7H,2H3
SMILES:C#Cc1ccc(cc1)C(=O)OC
Synonyms:
  • Benzoic Acid, 4-Ethynyl-, Methyl Ester
  • 4-Ethynyl-Benzoic Acid Methyl Ester
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