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CAS 85448-30-2

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bis[(~2~H_3_)methyl] benzene-1,2-dicarboxylate

Description:
Bis[(~2~H_3_)methyl] benzene-1,2-dicarboxylate, with the CAS number 85448-30-2, is an organic compound characterized by its structure, which includes a benzene ring substituted with two carboxylate groups and two methyl groups. This compound is a derivative of phthalic acid, where the hydrogen atoms on the benzene ring are replaced by methyl groups, specifically deuterated methyl groups, which are denoted by the notation (~2~H_3_). The presence of the dicarboxylate functional groups indicates that it can participate in various chemical reactions, such as esterification and nucleophilic substitution. The deuterated methyl groups may influence the compound's physical properties, such as solubility and boiling point, compared to its non-deuterated counterparts. Additionally, the compound may exhibit unique spectroscopic characteristics due to the presence of deuterium, which can be useful in analytical chemistry. Overall, bis[(~2~H_3_)methyl] benzene-1,2-dicarboxylate is of interest in both synthetic organic chemistry and materials science.
Formula:C10H4D6O4
InChI:InChI=1/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3/i1D3,2D3
InChI key:NIQCNGHVCWTJSM-WFGJKAKNSA-N
SMILES:C(OC(=O)c1ccccc1C(=O)OC([2H])([2H])[2H])([2H])([2H])[2H]
Synonyms:
  • 1,2-Benzenedicarboxylic Acid, Dimethyl-D< Sub> 3< /Sub> Ester
  • Bis[(< sup> 2< /sup> H< sub> 3< /sub> )methyl] phthalate
Found 6 products.