Cas no 26204-18-2 (p-Xylene-α,α,α-d3)

Technical Introduction: p-Xylene-α,α,α-d3 p-Xylene-α,α,α-d3 is a deuterated analog of p-xylene, where the three hydrogen atoms on the methyl groups are replaced by deuterium (D). This isotopic labeling enhances its utility in NMR spectroscopy, kinetic studies, and mechanistic research, providing distinct spectral signals and reduced interference from protonated solvents. The compound is particularly valuable in tracing reaction pathways and investigating metabolic processes due to its isotopic purity and stability. Its application extends to pharmaceutical and materials science research, where precise molecular tracking is essential. p-Xylene-α,α,α-d3 is synthesized under controlled conditions to ensure high isotopic enrichment and chemical consistency.
p-Xylene-α,α,α-d3 structure
p-Xylene-α,α,α-d3 structure
Product Name:p-Xylene-α,α,α-d3
CAS No:26204-18-2
MF:C8H10
MW:109.183487415314
MDL:MFCD08704952
CID:253730
PubChem ID:57923695
Update Time:2025-05-27

p-Xylene-α,α,α-d3 Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-methyl-4-(methyl-d3)-
    • [D3]-p-xylene
    • Carbonochloridic acid, 2-(trichloromethyl)phenyl ester
    • Chlorameisensaeure-< 2-trichlormethyl-phenylester>
    • Chlorkohlensaeure-< 2-trichlormethyl-phenylester>
    • CTK2I6364
    • p-Xylene-α,α,α-d3
    • MDL： MFCD08704952
    • Inchi： 1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3/i3D,4D,5D
    • InChI Key： CTQNGGLPUBDAKN-QGZYMEECSA-N
    • SMILES： C1(C)C([2H])=C([2H])C([2H])=CC=1C

Computed Properties

  • Exact Mass: 109.097
  • Monoisotopic Mass: 109.097
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 48.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Density: 0.895
  • Boiling Point: 139.61 °C at 760 mmHg
  • Flash Point: 27.222 °C

p-Xylene-α,α,α-d3 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
P749412-10mg
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TRC
P749412-50mg
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 $87.00 2023-05-17
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A2B Chem LLC
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A2B Chem LLC
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AstaTech
D98538-0.1/G
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AstaTech
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