Chem
J-GLOBAL ID：200907027771123738   Nikkaji number：J141.334A

1-Nitro-4-(nitromethyl)benzene

1-ニトロ-4-(ニトロメチル)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： C7H6[N+]2O2[O-]2
Molecular formula furigana： C7-H6-N2-O4
Molecular weight： 182.135
InChI： InChI=1S/C7H6N2O4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2
InChI key： MQQSJSOCNUOYBX-UHFFFAOYSA-N
SMILES： [O-][N+](=O)Cc1ccc(cc1)[N+](=O)[O-]
Systematic name  (9)：
  • 1-(ニトロメチル)-4-ニトロベンゼン
  • ニトロ(4-ニトロフェニル)メタン
  • 4-(ニトロメチル)-1-ニトロベンゼン
  • 4-ニトロ-1-(ニトロメチル)ベンゼン
  • (4-ニトロフェニル)ニトロメタン
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Other name (8)：
  • α,4-Dinitrotoluene
  • 1-Nitro-4-(nitromethyl)benzene
  • 4-Nitrophenylnitromethane
  • 1-(Nitromethyl)-4-nitrobenzene
  • 4-(Nitromethyl)-1-nitrobenzene
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Regulation number (1)：
  • (3)-446
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