ChemicalBook--->CAS DataBase List--->131-62-4

131-62-4

131-62-4 Structure

131-62-4 Structure
IdentificationBack Directory
[Name]

1-Hydroxy-2-oxa-1-ioda(III)indan-3-one
[CAS]

131-62-4
[Synonyms]

1-hydroxy-3-oxobenziodoxole
2-Iodosylbenzoic acid, 95+%
1-Hydroxy-1,2-benziodoxole-3-one
1,2-Benziodoxol-3(1H)-one,1-hydroxy-
1-hydroxy-3H-1λ3,2-benziodaoxol-3-one
1-Hydroxy-1-ioda(III)-2-oxaindan-3-one
1-Hydroxy-2-oxa-1-ioda(III)indan-3-one
1-Hydroxy-1H-1|-benzo[d][1,2]iodoxol-3-one
1-hydroxy-3H-1lambda3,2-benziodaoxol-3-one
1-methoxy-1H-1λ3-benzo[d][1,2]iodoxol-3-one
1-Hydroxy-3-oxo-1,3-dihydro-1,2-benzoiodoxol
1-Hydroxy-1,3-dihydro-1,2-benziodoxole-3-one
1-hydroxy-1lambda~3~,2-benziodoxol-3(1H)-one
1-Hydroxy-3-oxo-1,3-dihydro-1,2-benzoiodoxole
[Molecular Formula]

C7H5IO3
[MDL Number]

MFCD01658875
[MOL File]

131-62-4.mol
[Molecular Weight]

264.02
Chemical PropertiesBack Directory
[Melting point ]

260 °C (decomp)(Solv: water (7732-18-5))
[storage temp. ]

Storage temp. 2-8°C
[pka]

8.12±0.20(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C7H5IO3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,10H
[InChIKey]

AZJIXRYFAZOEMC-UHFFFAOYSA-N
[SMILES]

I1(O)C2=CC=CC=C2C(=O)O1
Safety DataBack Directory
[Symbol(GHS) ]

Flame Over Circle (GHS03)Exclamation Mark (GHS07)
GHS03,GHS07
[Signal word ]

Danger
[Hazard statements ]

H272-H302-H312-H315-H319-H332-H335
[Precautionary statements ]

P210-P221-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P370+P378-P403+P233-P405-P501
[RIDADR ]

UN1479
[HazardClass ]

5.1
Hazard InformationBack Directory
[Uses]

1-?Hydroxy-?1,?2-?benziodoxol-?3(1H)?-?one (IBA) is an efficient terminal oxidant for gold-?catalyzed, three-?component oxyarylation reactions. It also acted as a catalyst in synthesis of ynones via a hypervalent iodine-catalyzed reaction.
[Definition]

ChEBI: A benziodoxole compound having a hydroxy substituent at the 1-position and an oxo substituent at the 3-position.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Hydroxy-2-oxa-1-ioda(III)indan-3-one(131-62-4)1HNMR
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