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CAS 62790-26-5

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Benzoic-d5 acid, sodiumsalt (9CI)

Description:
Benzoic-d5 acid, sodium salt (9CI), with the CAS number 62790-26-5, is a deuterated form of benzoic acid, where five hydrogen atoms are replaced by deuterium, a stable isotope of hydrogen. This compound is typically used in research and analytical applications, particularly in NMR spectroscopy, due to its unique isotopic labeling that allows for the tracking of molecular interactions and dynamics. As a sodium salt, it is soluble in water and exhibits properties similar to those of benzoic acid, including its role as a preservative and antimicrobial agent in various food and pharmaceutical products. The presence of deuterium can also influence the compound's physical and chemical properties, such as its boiling point and reactivity. Overall, benzoic-d5 acid, sodium salt serves as a valuable tool in scientific studies, particularly in the fields of organic chemistry and biochemistry, where precise molecular behavior needs to be understood.
Formula:C7HD5O2Na
InChI:InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1/i1D,2D,3D,4D,5D;
InChI key:WXMKPNITSTVMEF-GWVWGMRQSA-M
SMILES:[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)[O-])[2H])[2H].[Na+]
Synonyms:
  • Sodiumbenzoate-d5
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