Chem
J-GLOBAL ID：200907091605235587   Nikkaji number：J1.177K

1,3-Dinitrobenzene

1,3-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： C6H4[N+]2O2[O-]2
Molecular formula furigana： C6-H4-N2-O4
Molecular weight： 168.108
InChI： InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
InChI key： WDCYWAQPCXBPJA-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cccc(c1)[N+](=O)[O-]
Systematic name  (4)：
  • 2,6-ジニトロベンゼン
  • 2,4-ジニトロベンゼン
  • 1,3-ジニトロベンゼン
  • 1,3-dinitrobenzene
Other name (6)：
  • m-ジニトロベンゼン
  • m-Dinitrobenzene
  • 1,3-Dinitrobenzene
  • 2,6-Dinitrobenzene
  • 2,4-Dinitrobenzene
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CAS registry number： 99-65-0
Regulation number (6)：
  • EINECS2027768
  • (3)-445
  • CZ7350000
  • TSCA(99-65-0)
  • UN-1597
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