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CAS 56004-61-6

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5,6-Di(methyl-d3)benzene-1,2,3,4-d4

Description:
5,6-Di(methyl-d3)benzene-1,2,3,4-d4, with the CAS number 56004-61-6, is a deuterated aromatic compound that serves as a valuable tool in various fields of chemical research, particularly in NMR spectroscopy and studies involving isotopic labeling. This compound features a benzene ring substituted with two deuterated methyl groups at the 5 and 6 positions, and it is fully deuterated at the 1, 2, 3, and 4 positions, which enhances its utility in tracing and analyzing reaction pathways. The presence of deuterium, a stable isotope of hydrogen, alters the physical and chemical properties of the compound compared to its non-deuterated counterparts, including changes in vibrational frequencies and NMR chemical shifts. This compound is typically used in advanced organic synthesis, material science, and in the development of pharmaceuticals, where isotopic labeling can provide insights into molecular dynamics and interactions. Its unique characteristics make it a significant compound in both academic and industrial research settings.
Formula:C8D10
InChI:InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D
InChI key:InChIKey=CTQNGGLPUBDAKN-ZGYYUIRESA-N
SMILES:C(C1=C(C([2H])([2H])[2H])C(=C(C(=C1[2H])[2H])[2H])[2H])([2H])([2H])[2H]
Synonyms:
  • (2H10)-o-Xylene
  • 1,2,3,4-Tetradeuterio-5,6-bis(trideuteriomethyl)benzene
  • 1,2-Dimethylbenzene-d<sub>10</sub>
  • 1,2-bis[(~2~H_3_)methyl](~2~H_4_)benzene
  • 5,6-Di(methyl-d<sub>3</sub>)benzene-1,2,3,4-d<sub>4</sub>
  • Benzene-1,2,3,4-d<sub>4</sub>, 5,6-di(methyl-d<sub>3</sub>)-
  • Perdeuterated 1,2-dimethylbenzene
  • Perdeutero-o-xylene
  • o-Xylene-d<sub>10</sub>
  • Benzene-1,2,3,4-d4, 5,6-di(methyl-d3)-
  • See more synonyms
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