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CHEBI:41733 - 2-hydroxy-5-nitrophenyl hydrogen sulfate

ChEBI IDCHEBI:41733
ChEBI Name2-hydroxy-5-nitrophenyl hydrogen sulfate
Stars
DefinitionAn aryl sulfate that is 4-nitrocatechol in which the hydroxy group that is meta to the nitro group has been converted into the corresponding hydrogen sulfate. It is used (commonly as its dipotassium salt) as a chromogenic substrate for sulphatase.
Last Modified28 April 2020
DownloadsMolfile
FormulaC6H5NO7S
Net Charge0
Average Mass235.173
Monoisotopic Mass234.97867
SMILESO=[N+]([O-])c1ccc(O)c(OS(=O)(=O)O)c1
InChIInChI=1S/C6H5NO7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,11,12,13)
InChIKeyXMCCOOONGGUOLA-UHFFFAOYSA-N
Roles Classification
Application:
chromogenic compound  Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-5-nitrophenyl hydrogen sulfate (CHEBI:41733) has functional parent 4-nitrocatechol (CHEBI:16318)
2-hydroxy-5-nitrophenyl hydrogen sulfate (CHEBI:41733) has role chromogenic compound (CHEBI:75050)
2-hydroxy-5-nitrophenyl hydrogen sulfate (CHEBI:41733) is a 4-nitrophenols (CHEBI:88306)
2-hydroxy-5-nitrophenyl hydrogen sulfate (CHEBI:41733) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
2-hydroxy-5-nitrophenyl hydrogen sulfate
Synonyms  Source
N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMPDBeChem
p-nitrocatechol sulfateChemIDplus
4-nitrocatechol sulfateChemIDplus
2-hydroxy-5-nitrophenyl sulfateChemIDplus
sulfuric acid mono-(2-hydroxy-5-nitro-phenyl ester)ChEBI
Manual XrefsDatabases
CSNPDBeChem
Registry NumbersSources
Reaxys:2058143Reaxys
CAS:10485-66-2ChemIDplus