Chem
J-GLOBAL ID：200907068145719589   Nikkaji number：J42.008E

3,5-Dinitrobenzonitrile

3,5-ジニトロベンゾニトリル
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： C7H3N[N+]2O2[O-]2
Molecular formula furigana： C7-H3-N3-O4
Molecular weight： 193.118
InChI： InChI=1S/C7H3N3O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H
InChI key： SSDNULNTQAUNFQ-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C#N
Systematic name  (3)：
  • 3,5-ジニトロベンゼンカルボニトリル
  • 3,5-ジニトロベンゾニトリル
  • 3,5-dinitrobenzonitrile
Other name (1)：
  • 3,5-Dinitrobenzonitrile
CAS registry number： 4110-35-4
Regulation number (2)：
  • DI4365000
  • EINECS2238899
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