Cas no 1859-01-4 (1,2,4,5-Tetramethylbenzene-3,6-d2)

1,2,4,5-Tetramethylbenzene-3,6-d2 is a deuterated aromatic compound where two hydrogen atoms at the 3 and 6 positions are replaced by deuterium (D). This isotopic labeling enhances its utility in NMR spectroscopy, providing distinct spectral signatures for structural and mechanistic studies. The tetramethyl substitution pattern ensures high chemical stability and predictable reactivity, making it valuable in synthetic and analytical applications. Its deuterated form is particularly useful as an internal standard or tracer in kinetic and metabolic research. The compound’s purity and well-defined structure support precise experimental outcomes in organic chemistry, materials science, and pharmaceutical research.
1,2,4,5-Tetramethylbenzene-3,6-d2 structure
1859-01-4 structure
Product Name:1,2,4,5-Tetramethylbenzene-3,6-d2
CAS No:1859-01-4
MF:C10H14
MW:136.230486392975
CID:118152
PubChem ID:102602329
Update Time:2025-06-08

1,2,4,5-Tetramethylbenzene-3,6-d2 Chemical and Physical Properties

Names and Identifiers

    • Benzene-1,4-d2,2,3,5,6-tetramethyl- (8CI,9CI)
    • 1,2,4,5-TETRAMETHYLBENZENE-3,6-D2
    • 1,4-dideuterio-2,3,5,6-tetramethyl-benzene
    • 3.6-Dideuteroduren
    • 3.6-Dideutero-durol
    • AC1L3URW
    • Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 8-(chloromethyl)-1,2,3,6,7,8-hexahydro-4-hydroxy-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (2R-trans)-
    • BRN 4834144
    • CHEMBL159088
    • duocarmycin C2
    • durene-2,5-d2
    • durene-3,6-d2
    • LS-34798
    • Pyrindamycin A
    • 1859-01-4
    • 1,4-Dideuterio-2,3,5,6-tetramethylbenzene
    • D98377
    • 1,2,4,5-Tetramethylbenzene-3,6-d2
    • Inchi： 1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3/i5D,6D
    • InChI Key： SQNZJJAZBFDUTD-KCZCTXNHSA-N
    • SMILES： C1(C)C([2H])=C(C)C(C)=C([2H])C=1C

Computed Properties

  • Exact Mass: 138.1347
  • Monoisotopic Mass: 136.122103938g/mol
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 80.6
  • 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
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0

1,2,4,5-Tetramethylbenzene-3,6-d2 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
T159053-5mg
1,2,4,5-Tetramethylbenzene-3,6-d2
 1859-01-4
5mg
 $ 64.00 2023-09-06
TRC
T159053-10mg
1,2,4,5-Tetramethylbenzene-3,6-d2
 1859-01-4
10mg
 $ 81.00 2023-09-06
TRC
T159053-50mg
1,2,4,5-Tetramethylbenzene-3,6-d2
 1859-01-4
50mg
 $115.00 2023-05-17

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