Chem
J-GLOBAL ID：200907039582554904   Nikkaji number：J208.806A

2-Nitro-5-thiocyanatobenzoic acid

2-ニトロ-5-チオシアナト安息香酸
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： C8H4N[N+]O3[O-]S
Molecular formula furigana： C8-H4-N2-O4-S
Molecular weight： 224.190
InChI： InChI=1S/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12)
InChI key： NQUNIMFHIWQQGJ-UHFFFAOYSA-N
SMILES： OC(=O)c1cc(SC#N)ccc1[N+](=O)[O-]
Systematic name  (5)：
  • 2-ニトロ-5-チオシアノ安息香酸
  • 2-ニトロ-5-チオシアナト安息香酸
  • 2-ニトロ-5-(チオシアナト)安息香酸
  • 5-(シアノスルファニル)-2-ニトロ安息香酸
  • 5-(cyanosulfanyl)-2-nitrobenzoic acid
Other name (6)：
  • 2-Nitro-5-thiocyanatobenzoic acid
  • NTCB
  • 2-Nitro-5-(thiocyanato)benzoic acid
  • ニトロチオシアノ安息香酸
  • Nitrothiocyanobenzoic acid
Show all
CAS registry number： 30211-77-9
Regulation number (2)：
  • EINECS2500939
  • TSCA(30211-77-9)
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