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CAS 913835-75-3

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3-Borono-4-chlorobenzoic acid

Description:
3-Borono-4-chlorobenzoic acid is an organic compound characterized by the presence of both a boronic acid group and a chlorobenzoic acid moiety. Its molecular structure features a benzene ring substituted with a boron atom at the 3-position and a chlorine atom at the 4-position, along with a carboxylic acid functional group. This compound is typically a white to off-white solid and is soluble in polar solvents such as water and alcohols, owing to the presence of the carboxylic acid group. It is often utilized in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, which are important for forming carbon-carbon bonds in the development of pharmaceuticals and agrochemicals. The boronic acid functionality allows for the formation of stable complexes with diols, making it useful in various applications, including sensor technology and drug delivery systems. Additionally, its chlorinated structure can enhance reactivity and selectivity in chemical reactions. Safety precautions should be observed when handling this compound, as with many organoboron compounds, due to potential toxicity and environmental concerns.
Formula:C7H6BClO4
InChI:InChI=1S/C7H6BClO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,12-13H,(H,10,11)
InChI key:InChIKey=ZITWKFSVFMUWIE-UHFFFAOYSA-N
SMILES:B(O)(O)C1=CC(C(O)=O)=CC=C1Cl
Synonyms:
  • (5-Carboxy-2-chlorophenyl)boronic acid
  • 3-Borono-4-chlorobenzoic acid
  • 4-Chloro-3-(Dihydroxyboranyl)Benzoic Acid
  • 5-Carboxy-2-chlorobenzeneboronic acid
  • 5-Carboxy-2-chlorophenylboronic acid
  • Benzoic acid, 3-borono-4-chloro-
  • 2-Chloro-5-carboxyphenylboronic acid
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