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CAS 25493-13-4

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1,4-Di(methyl-d3)benzene

Description:
1,4-Di(methyl-d3)benzene, also known as 1,4-Dimethylbenzene-d3, is a deuterated derivative of p-xylene, characterized by the substitution of three hydrogen atoms in the methyl groups with deuterium, a stable isotope of hydrogen. This compound has a molecular formula of C8H10D3, indicating the presence of eight carbon atoms, ten hydrogen atoms, and three deuterium atoms. It is a colorless liquid at room temperature and exhibits a sweet aromatic odor typical of aromatic hydrocarbons. The presence of deuterium enhances its stability and alters its physical properties, making it useful in various applications, including NMR spectroscopy and studies involving isotopic labeling. 1,4-Di(methyl-d3)benzene is soluble in organic solvents and has a relatively low boiling point, characteristic of aromatic compounds. Its chemical behavior is similar to that of non-deuterated p-xylene, participating in electrophilic aromatic substitution reactions, but with kinetic isotope effects due to the presence of deuterium. Safety precautions should be taken when handling this compound, as with other aromatic hydrocarbons, due to potential health hazards.
Formula:C8H4D6
InChI:InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/i1D3,2D3
InChI key:InChIKey=URLKBWYHVLBVBO-WFGJKAKNSA-N
SMILES:C(C1=CC=C(C([2H])([2H])[2H])C=C1)([2H])([2H])[2H]
Synonyms:
  • 1,4-Di(methyl-d<sub>3</sub>)benzene
  • 1,4-bis[(~2~H_3_)methyl]benzene
  • Benzene, 1,4-di(methyl-d<sub>3</sub>)-
  • P-xylene-alpha,alpha,alpha,alpha,alpha
  • p-Xylene-alpha,alpha-d6,98 atom % D
  • p-Xylene-d<sub>6</sub>
  • p-Xylene-α,α,α,α′,α′,α′-d<sub>6</sub>
  • p-Xylene-α,α′-d<sub>6</sub>
  • p-Xylene-α,α′-d6
  • p-Xylene-α,α,α,α′,α′,α′-d6
  • See more synonyms
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