Cas no 84434-22-0 (Benzene,3-(1,1-dimethylethyl)-1,5-dimethyl-2,4-dinitro-)

Benzene,3-(1,1-dimethylethyl)-1,5-dimethyl-2,4-dinitro- structure
84434-22-0 structure
Product Name:Benzene,3-(1,1-dimethylethyl)-1,5-dimethyl-2,4-dinitro-
CAS No:84434-22-0
MF:C12H16N2O4
MW:252.266443252563
CID:731768
PubChem ID:3019859
Update Time:2025-04-19

Benzene,3-(1,1-dimethylethyl)-1,5-dimethyl-2,4-dinitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene,3-(1,1-dimethylethyl)-1,5-dimethyl-2,4-dinitro-
    • 3-tert-butyl-1,5-dimethyl-2,4-dinitrobenzene
    • 5-tert-butyl-4,6-dinitro-m-xylene
    • EINECS 282-822-1
    • DTXSID50233402
    • 3-(1,1-DIMETHYLETHYL)-1,5-DIMETHYL-2,4-DINITROBENZENE
    • SCHEMBL4924130
    • NS00038507
    • LR57TMF6F3
    • Benzene, 3-(1,1-dimethylethyl)-1,5-dimethyl-2,4-dinitro-
    • UNII-LR57TMF6F3
    • 84434-22-0
    • Inchi： 1S/C12H16N2O4/c1-7-6-8(2)11(14(17)18)9(12(3,4)5)10(7)13(15)16/h6H,1-5H3
    • InChI Key： ZHFGLQLHVTZCGJ-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C(C)=CC(C)=C(C=1C(C)(C)C)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 252.11100700g/mol
  • Monoisotopic Mass: 252.11100700g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 314
  • 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: 91.6?2

Benzene,3-(1,1-dimethylethyl)-1,5-dimethyl-2,4-dinitro- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Nitrogen dioxide Solvents: Acetonitrile
1.2 Reagents: Oxygen ,  Ozone
Reference
Non-acid synthesis of nitro musks based on the ozone-mediated nitration using nitrogen dioxide
Suzuki, Hitomi; et al, Synthesis, 1999, (8), 1291-1293

Benzene,3-(1,1-dimethylethyl)-1,5-dimethyl-2,4-dinitro- Raw materials

Benzene,3-(1,1-dimethylethyl)-1,5-dimethyl-2,4-dinitro- Preparation Products

Benzene,3-(1,1-dimethylethyl)-1,5-dimethyl-2,4-dinitro- Related Literature

84434-22-0 (Benzene,3-(1,1-dimethylethyl)-1,5-dimethyl-2,4-dinitro-) Related Products

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