ChemicalBook--->CAS DataBase List--->85342-65-0

85342-65-0

85342-65-0 Structure

85342-65-0 Structure
IdentificationBack Directory
[Name]

4,5,6,7-Tetrachloro-2-hydroxy-isoindole-1,3-dione
[CAS]

85342-65-0
[Synonyms]

TCNHPI
3,4,5,6-Tetrachloro-N-hydroxyphthalimide
4,5,6,7-Tetrachloro-2-hydroxy-isoindole-1,3-dione
4,5,6,7-tetrachloro-2-hydroxyisoindoline-1,3-dione
1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-hydroxy-
[Molecular Formula]

C8HCl4NO3
[MDL Number]

MFCD29088000
[MOL File]

85342-65-0.mol
[Molecular Weight]

300.91
Chemical PropertiesBack Directory
[Boiling point ]

532.1±60.0 °C(Predicted)
[density ]

2.041±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

6.04±0.58(Predicted)
[color ]

Light Yellow
[InChI]

1S/C8HCl4NO3/c9-3-1-2(4(10)6(12)5(3)11)8(15)13(16)7(1)14/h16H
[InChIKey]

UTRBHXSKVVPTLY-UHFFFAOYSA-N
[SMILES]

O=C1N(O)C(C2=C(Cl)C(Cl)=C(Cl)C(Cl)=C21)=O
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P301+P330+P331+P310
[WGK Germany ]

WGK 3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Uses]

New reagent enabling the electrochemical allylic C-H oxidation reaction developed by the Baran group. This method provides a scalable and sustainable alternative to current strategies based on toxic reagents or precious metals.
[General Description]

N-Hydroxytetrachlorophthalimide (TCNHPI) is an aryl-tetrahalogenated N-hydroxyphthalimide derivative. In combination with 1,4-diamino-2,3-dichloroanthraquinone (DADCAQ), it forms an efficient catalytic system for the oxidation of aromatic hydrocarbons using molecular oxygen under metal-free and aerobic conditions.
[reaction suitability]

reagent type: oxidant
Spectrum DetailBack Directory
[Spectrum Detail]

4,5,6,7-Tetrachloro-2-hydroxy-isoindole-1,3-dione(85342-65-0)1HNMR
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