Cas no 93951-90-7 (2,6-Dinitrotoluene-α,α,α-d3)

2,6-Dinitrotoluene-α,α,α-d3 structure
2,6-Dinitrotoluene-α,α,α-d3 structure
Product Name:2,6-Dinitrotoluene-α,α,α-d3
CAS No:93951-90-7
MF:C7H6N2O4
MW:185.15202665329
MDL:MFCD00142848
CID:803603
PubChem ID:16213875
Update Time:2025-04-19

2,6-Dinitrotoluene-α,α,α-d3 Chemical and Physical Properties

Names and Identifiers

    • Benzene,2-(methyl-d3)-1,3-dinitro- (9CI)
    • 2,6-DINITROTOLUENE-ALPHA,ALPHA,ALPHA-D3
    • 2,6-Dinitrotoluene-(methyl-d3)
    • 2-(~2~H_3_)Methyl-1,3-dinitrobenzene
    • 2,6-Dinitrotoluene-?,?,?-d3
    • 2,6-Dinitrotoluene-alpha,alpha,alpha-d3, 98 atom % D
    • 2-(?H?)methyl-1,3-dinitrobenzene
    • DTXSID80584151
    • 93951-90-7
    • D99327
    • 2,6-Dinitrotoluene- alpha , alpha , alpha -d3
    • 1,3-dinitro-2-(trideuteriomethyl)benzene
    • Benzene, 2-(methyl-d3)-1,3-dinitro- (9CI); 2,6-Dinitrotoluene (methyl-D3); 2-Trideuteromethyl-1,3-dinitrobenzene
    • 2-((2)H?)METHYL-1,3-DINITROBENZENE
    • 2,6-Dinitrotoluene-α,α,α-d3
    • MDL: MFCD00142848
    • Inchi: 1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3/i1D3
    • InChI Key: XTRDKALNCIHHNI-FIBGUPNXSA-N
    • SMILES: [O-][N+](C1C=CC=C(C=1C([2H])([2H])[2H])[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 185.05158691g/mol
  • Monoisotopic Mass: 185.05158691g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 198
  • 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: 2.1
  • Topological Polar Surface Area: 91.6?2

Experimental Properties

  • Melting Point: 56-61?°C(lit.)

2,6-Dinitrotoluene-α,α,α-d3 Security Information

2,6-Dinitrotoluene-α,α,α-d3 Pricemore >>

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