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CAS 60088-54-2

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1,4-Benzene-2,3,5,6-d4-dicarboxylic acid

Description:
1,4-Benzene-2,3,5,6-d4-dicarboxylic acid, also known as d4-terephthalic acid, is a deuterated derivative of terephthalic acid, characterized by the presence of four deuterium atoms replacing hydrogen atoms in the benzene ring. This compound features two carboxylic acid functional groups (-COOH) attached to the benzene ring at the 1 and 4 positions, making it a dicarboxylic acid. The deuteration enhances its utility in various applications, particularly in NMR spectroscopy, where it serves as a valuable internal standard due to its distinct spectral properties. The presence of the carboxylic acid groups contributes to its solubility in polar solvents and its ability to form hydrogen bonds, influencing its reactivity and interactions in chemical processes. This compound is often used in research and industrial applications, including polymer synthesis and as a precursor in the production of various chemical intermediates. Its unique isotopic labeling also makes it significant in studies involving metabolic pathways and tracer studies in organic chemistry.
Formula:C8H2D4O4
InChI:InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/i1D,2D,3D,4D
InChI key:InChIKey=KKEYFWRCBNTPAC-RHQRLBAQSA-N
SMILES:C(O)(=O)C1=C(C(=C(C(O)=O)C(=C1[2H])[2H])[2H])[2H]
Synonyms:
  • (2,3,5,6-2H4)Terephthalic acid
  • (~2~H_4_)benzene-1,4-dicarboxylic acid
  • 1,4-Benzene-2,3,5,6-d<sub>4</sub>-dicarboxylic acid
  • 2,3,5,6-Tetradeuterioterephthalic acid
  • Benzene-1,4-Dicarboxylic Acid
  • Terephthalic-d<sub>4</sub> acid
  • 1,4-Benzene-2,3,5,6-d4-dicarboxylic acid
  • Terephthalic-d4 acid
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