Cas no 358731-95-0 (2,6-Dichlorotoluene-3,4,5-d3)

2,6-Dichlorotoluene-3,4,5-d3 is a deuterated analog of 2,6-dichlorotoluene, where three hydrogen atoms at positions 3, 4, and 5 are replaced with deuterium. This isotopic labeling enhances the compound's utility in mass spectrometry and NMR studies, providing improved signal resolution and reduced interference in analytical applications. Its high isotopic purity and chemical stability make it suitable for use as an internal standard in quantitative analysis, particularly in environmental and pharmaceutical research. The compound's defined structure and consistent deuteration ensure reliable performance in tracer experiments and mechanistic studies, supporting precise metabolic and kinetic investigations.
2,6-Dichlorotoluene-3,4,5-d3 structure
2,6-Dichlorotoluene-3,4,5-d3 structure
Product Name:2,6-Dichlorotoluene-3,4,5-d3
CAS No:358731-95-0
MF:C7H6Cl2
MW:164.047025203705
CID:303245
PubChem ID:90472222
Update Time:2025-06-08

2,6-Dichlorotoluene-3,4,5-d3 Chemical and Physical Properties

Names and Identifiers

    • Benzene-1,2,3-d3,4,6-dichloro-5-methyl- (9CI)
    • 2,6-DICHLOROTOLUENE-3,4,5-D3
    • DTXSID601276127
    • D99357
    • 1,5-dichloro-2,3,4-trideuterio-6-methylbenzene
    • 358731-95-0
    • Benzene-1,2,3-d3, 4,6-dichloro-5-methyl-
    • 2,6-Dichlorotoluene-3,4,5-d3
    • Inchi： 1S/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3/i2D,3D,4D
    • InChI Key： DMEDNTFWIHCBRK-NRUYWUNFSA-N
    • SMILES： ClC1C([2H])=C([2H])C([2H])=C(C=1C)Cl

Computed Properties

  • Exact Mass: 163.003
  • Monoisotopic Mass: 163.003
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 82.9
  • 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: 4.3
  • Topological Polar Surface Area: 0A^2

2,6-Dichlorotoluene-3,4,5-d3 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D435351-10mg
2,6-Dichlorotoluene-3,4,5-d3
 358731-95-0
10mg
 $ 64.00 2023-09-07
TRC
D435351-50mg
2,6-Dichlorotoluene-3,4,5-d3
 358731-95-0
50mg
 $87.00 2023-05-18
TRC
D435351-100mg
2,6-Dichlorotoluene-3,4,5-d3
 358731-95-0
100mg
 $144.00 2023-05-18

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