Chem
J-GLOBAL ID：200907012036345347   Nikkaji number：J27.654E

5-Nitroisophthalic acid

5-ニトロイソフタル酸
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： C8H5[N+]O5[O-]
Molecular formula furigana： C8-H5-N-O6
Molecular weight： 211.129
InChI： InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChI key： NBDAHKQJXVLAID-UHFFFAOYSA-N
SMILES： OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O
Systematic name  (4)：
  • 5-ニトロ-1,3-ベンゼンジカルボン酸
  • 5-ニトロイソフタル酸
  • 5-ニトロベンゼン-1,3-ジカルボン酸
  • 5-nitrobenzene-1,3-dicarboxylic acid
Other name (2)：
  • 5-Nitroisophthalic acid
  • 5-Nitrobenzene-1,3-dicarboxylic acid
CAS registry number： 618-88-2
Regulation number (3)：
  • 4-(4)-332
  • EINECS2105683
  • TSCA(618-88-2)
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