Chem
J-GLOBAL ID:200907050710960612   Nikkaji number:J446.986K

1,3-Dimethyl-5-tert-butyl-2,4-dinitrobenzene

1-tert-ブチル-3,5-ジメチル-2,4-ジニトロベンゼン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C12H16[N+]2O2[O-]2
Molecular formula furigana: C12-H16-N2-O4
Molecular weight: 252.270
InChI: InChI=1S/C12H16N2O4/c1-7-6-9(12(3,4)5)11(14(17)18)8(2)10(7)13(15)16/h6H,1-5H3
InChI key: AOJWKPQIUREKNP-UHFFFAOYSA-N
SMILES: Cc1cc(c(c(C)c1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C
Systematic name  (6):
  • 2,4-ジニトロ-5-tert-ブチル-1,3-ジメチルベンゼン
  • 1,3-ジメチル-5-(1,1-ジメチルエチル)-2,4-ジニトロベンゼン
  • 1-(1,1-ジメチルエチル)-3,5-ジメチル-2,4-ジニトロベンゼン
  • 1,3-ジメチル-5-tert-ブチル-2,4-ジニトロベンゼン
  • 1-tert-ブチル-3,5-ジメチル-2,4-ジニトロベンゼン
Show all
Other name (2):
  • 1-(1,1-Dimethylethyl)-3,5-dimethyl-2,4-dinitrobenzene
  • 1,3-Dimethyl-5-tert-butyl-2,4-dinitrobenzene
CAS registry number: 71850-77-6
Regulation number (1):
  • TSCA(71850-77-6)
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