Chem
J-GLOBAL ID：200907092006234544   Nikkaji number：J139.266B

3,5-Dinitro-4-methylbenzoic acid

3,5-ジニトロ-4-メチル安息香酸
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： C8H6[N+]2O4[O-]2
Molecular formula furigana： C8-H6-N2-O6
Molecular weight： 226.144
InChI： InChI=1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)
InChI key： LZWWZQXBKVZKIP-UHFFFAOYSA-N
SMILES： Cc1c(cc(cc1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]
Systematic name  (5)：
  • 3,5-ジニトロ-p-トルイル酸
  • 4-メチル-3,5-ジニトロ安息香酸
  • 3,5-ジニトロ-4-メチルベンゼンカルボン酸
  • 3,5-ジニトロ-4-メチル安息香酸
  • 4-methyl-3,5-dinitrobenzoic acid
Other name (4)：
  • 3,5-Dinitro-4-methylbenzenecarboxylic acid
  • 3,5-Dinitro-4-methylbenzoic acid
  • 3,5-Dinitro-p-toluic acid
  • 4-Methyl-3,5-dinitrobenzoic acid
CAS registry number： 16533-71-4
Regulation number (1)：
  • EINECS2406038
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