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CAS 223562-52-5

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4-(1-Propyn-1-yl)benzoic acid

Description:
4-(1-Propyn-1-yl)benzoic acid, with the CAS number 223562-52-5, is an organic compound characterized by its aromatic structure and the presence of a propynyl group attached to a benzoic acid moiety. This compound features a carboxylic acid functional group (-COOH) that contributes to its acidic properties, making it soluble in polar solvents. The propynyl group, which is a terminal alkyne, introduces unique reactivity, particularly in coupling reactions and other organic transformations. The compound's structure allows for potential applications in materials science, pharmaceuticals, and organic synthesis. Its physical properties, such as melting point and boiling point, are influenced by the molecular interactions between the aromatic ring and the functional groups. Additionally, the presence of the alkyne may enable further functionalization, making it a versatile intermediate in synthetic chemistry. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C10H8O2
InChI:InChI=1S/C10H8O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,1H3,(H,11,12)
InChI key:InChIKey=XBPVNJYEOFCIMB-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CC=C(C#CC)C=C1
Synonyms:
  • 4-(1-Propyn-1-yl)benzoic acid
  • Benzoic acid, 4-(1-propynyl)-
  • Benzoicacid, 4-(1-propynyl)- (9CI)
  • Benzoic acid, 4-(1-propyn-1-yl)-
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