Chem
J-GLOBAL ID：200907057832448135   Nikkaji number：J3.999C

4-Nitrotoluene

4-ニトロトルエン
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： C7H7[N+]O[O-]
Molecular formula furigana： C7-H7-N-O2
Molecular weight： 137.138
InChI： InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChI key： ZPTVNYMJQHSSEA-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)[N+](=O)[O-]
Systematic name  (7)：
  • 4-ニトロ-1-メチルベンゼン
  • 1-ニトロ-4-メチルベンゼン
  • 4-ニトロトルエン
  • p-ニトロトルエン
  • 4-メチル-1-ニトロベンゼン
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Other name (10)：
  • 1-Methyl-4-nitrobenzene
  • PNT
  • NCI-C-60537
  • p-Nitrotoluene
  • 4-Methyl-1-nitrobenzene
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CAS registry number： 99-99-0
Regulation number (6)：
  • XT3325000
  • UN-1664
  • (3)-437
  • EINECS2028080
  • TSCA(99-99-0)
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KEGG COMPOUND： C14394
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