Chem
J-GLOBAL ID：200907019764169029   Nikkaji number：J213.174I

3,6-Dinitrophthalic acid

3,6-ジニトロフタル酸
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： C8H4[N+]2O6[O-]2
Molecular formula furigana： C8-H4-N2-O8
Molecular weight： 256.125
InChI： InChI=1S/C8H4N2O8/c11-7(12)5-3(9(15)16)1-2-4(10(17)18)6(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChI key： MZDSOZBFTCRKNT-UHFFFAOYSA-N
SMILES： OC(=O)c1c(C(=O)O)c(ccc1[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (4)：
  • 3,6-ジニトロ-1,2-ベンゼンジカルボン酸
  • 3,6-ジニトロフタル酸
  • 3,6-ジニトロベンゼン-1,2-ジカルボン酸
  • 3,6-dinitrobenzene-1,2-dicarboxylic acid
Other name (2)：
  • 3,6-Dinitro-1,2-benzenedicarboxylic acid
  • 3,6-Dinitrophthalic acid
CAS registry number： 2300-16-5
Regulation number (1)：
  • EINECS2189501
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