Chem
J-GLOBAL ID:200907021187163479   Nikkaji number:J284.445A

4-Nitrophenyl isothiocyanate

4-ニトロフェニルイソチオシアナート
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: C7H4N[N+]O[O-]S
Molecular formula furigana: C7-H4-N2-O2-S
Molecular weight: 180.180
InChI: InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4H
InChI key: NXHSSIGRWJENBH-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(cc1)N=C=S
Systematic name  (5):
  • (4-ニトロフェニル)イソチオシアナート
  • p-ニトロフェニルイソチオシアナート
  • 1-イソチオシアナト-4-ニトロベンゼン
  • 4-ニトロフェニルイソチオシアナート
  • 1-isothiocyanato-4-nitrobenzene
Other name (4):
  • 4-Nitrophenyl isothiocyanate
  • 1-Isothiocyanato-4-nitrobenzene
  • (4-Nitrophenyl) isothiocyanate
  • p-Nitrophenyl isothiocyanate
CAS registry number: 2131-61-5
Regulation number (2):
  • EINECS2183599
  • TSCA(2131-61-5)
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