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CHEBI:52701 - 1-hydroxy-1,3-dioxobenziodoxole

ChEBI IDCHEBI:52701
ChEBI Name1-hydroxy-1,3-dioxobenziodoxole
Stars
DefinitionA benziodoxole compound having hydroxy and oxo substituents at the 1-position and an oxo substituent at the 3-position. It is a mild and efficient hypervalent iodine synthetic reagent used to carry out several selective oxidation reactions.
Last Modified31 March 2023
SubmitterColin Batchelor
DownloadsMolfile
FormulaC7H5IO4
Net Charge0
Average Mass280.017
Monoisotopic Mass279.92326
SMILESO=C1OI(=O)(O)c2ccccc21
InChIInChI=1S/C7H5IO4/c9-7-5-3-1-2-4-6(5)8(10,11)12-7/h1-4H,(H,10,11)
InChIKeyCQMJEZQEVXQEJB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
oxidising agent  A substance that removes electrons from another reactant in a redox reaction.
Biological Role:
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor  An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor which interferes with the activity of the enzyme protein tyrosine phosphatases (PTPs), EC 3.1.3.48, involved in the removal of phosphate groups from phosphorylated tyrosine residues on proteins.
ChEBI Ontology
Outgoing Relation(s)
1-hydroxy-1,3-dioxobenziodoxole (CHEBI:52701) has role EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor (CHEBI:35608)
1-hydroxy-1,3-dioxobenziodoxole (CHEBI:52701) has role oxidising agent (CHEBI:63248)
1-hydroxy-1,3-dioxobenziodoxole (CHEBI:52701) is a benziodoxole (CHEBI:52705)
1-hydroxy-1,3-dioxobenziodoxole (CHEBI:52701) is tautomer of ortho-iodylbenzoic acid (CHEBI:52700)
Incoming Relation(s)
ortho-iodylbenzoic acid (CHEBI:52700) is tautomer of 1-hydroxy-1,3-dioxobenziodoxole (CHEBI:52701)
IUPAC Name 
1-hydroxy-1λ3,2-benziodoxol-3(1H)-one 1-oxide
Synonyms  Source
1-hydroxy-1λ5,2-benziodoxole-1,3(1H)-dioneIUPAC
1-hydroxy-1-oxo-1λ5,2-benziodoxol-3-oneChEBI
1-hydroxy-1,2-benziodoxole-3(1H)-one 1-oxideChEBI
1-hydroxyl-2-benziodoxol-3(1H)-one 1-oxideChEBI
SIBXChEBI
stabilized IBXChEBI
Manual XrefsDatabases
2-Iodoxybenzoic_acidWikipedia
Registry NumbersSources
Beilstein:976364Beilstein
CAS:61717-82-6ChEBI
Citations