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CAS 2168559-67-7

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2-Chloro-4-ethynylbenzoic acid

Description:
2-Chloro-4-ethynylbenzoic acid is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with a chloro group and an ethynyl group. The presence of the chloro substituent typically enhances the compound's reactivity and can influence its solubility and boiling point. The ethynyl group, which contains a triple bond, contributes to the compound's unique chemical properties, making it a potential candidate for various synthetic applications, including in pharmaceuticals and materials science. This compound is likely to exhibit acidic behavior due to the carboxylic acid functional group, allowing it to participate in acid-base reactions. Additionally, its structural features may impart specific interactions with biological targets, making it of interest in medicinal chemistry. Safety and handling precautions should be observed, as halogenated compounds can pose health risks. Overall, 2-Chloro-4-ethynylbenzoic acid is a versatile compound with potential applications in various fields of chemistry.
Formula:C9H5ClO2
InChI:InChI=1S/C9H5ClO2/c1-2-6-3-4-7(9(11)12)8(10)5-6/h1,3-5H,(H,11,12)
InChI key:InChIKey=RUAVYSBZAHLZNH-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(Cl)C=C(C#C)C=C1
Synonyms:
  • Benzoic acid, 2-chloro-4-ethynyl-
  • 2-Chloro-4-ethynylbenzoic acid
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