Bis(acetato-kappaO)(3-methylphenyl)iodine structure

Bis(acetato-kappaO)(3-methylphenyl)iodine

[acetyloxy-(3-methylphenyl)-λ3-iodanyl] acetate

Also Known As: m-Iodosotoluene diacetate|Diacetato(m-tolyl)iodine|m-(Diacetoxyiodo)toluene|Toluene, m-(diacetoxyiodo)-|3-(diacetoxyiodo)toluene|Toluene, m-iodoso-, diacetate|[acetyloxy-(3-methylphenyl)-|3-methyl(diacetoxyiodo)benzene|3-[Diacetoxyiodo(III)]toluene|Iodine, bis(acetato-O)(3-methylphenyl)- (9CI)|Toluene, m-(dihydroxyiodo)-, diacetate|Iodine, bis(acetato-O)(3-methylphenyl)-|Diacetoxy 3-methylphenyliodine(III)|bis(acetyloxy)(3-methylphenyl)-|E3-iodane|1-[Diacetoxyiodo(III)]-3-methylbenzene|Iodine, bis(acetato-kappaO)(3-methylphenyl)-|Bis(acetato-kappaO)(3-methylphenyl)iodine|[acetyloxy-(3-methylphenyl)-lambda3-iodanyl] acetate|J1.333.402A|Bis(acetyloxy)(3-methylphenyl)-lambda~3~-iodane|(acetyloxy)(3-methylphenyl)-lambda3-iodanyl acetate

CAS: 2198-93-8
Molecular Formula C11H13IO4
Molecular Weight 335.98587 g/mol
LogP 3.1
Topological Polar Surface Area 52.6 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 335.98587
Monoisotopic Mass 335.98587
Heavy Atoms 16
Complexity 251.0

Chemical Identifiers

CAS Number 2198-93-8
SMILES CC1=CC(=CC=C1)I(OC(=O)C)OC(=O)C
InChIKey GYZBFMJVJGCOQB-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (1 patents)

Product Overview

Bis(acetato-kappaO)(3-methylphenyl)iodine (CAS 2198-93-8), with molecular formula C11H13IO4 and molecular weight 335.98587 g/mol. IUPAC: [acetyloxy-(3-methylphenyl)-λ3-iodanyl] acetate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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