Chem
J-GLOBAL ID：200907019655545525   Nikkaji number：J450.716I

3,5-Dinitrophenyl isocyanate

3,5-ジニトロフェニルイソシアナート
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+]2O3[O-]2
Molecular formula furigana： C7-H3-N3-O5
Molecular weight： 209.117
InChI： InChI=1S/C7H3N3O5/c11-4-8-5-1-6(9(12)13)3-7(2-5)10(14)15/h1-3H
InChI key： JZPRXQSCMBDGKP-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])N=C=O
Systematic name  (4)：
  • 3,5-ジニトロフェニルイソシアナート
  • (3,5-ジニトロフェニル)イソシアナート
  • 1-イソシアナト-3,5-ジニトロベンゼン
  • 1-isocyanato-3,5-dinitrobenzene
Other name (2)：
  • 3,5-Dinitrophenyl isocyanate
  • (3,5-Dinitrophenyl) isocyanate
CAS registry number： 59776-60-2
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