(Diacetoxyiodo)benzene

C₁₀H₁₁IO₄CAS 3240-34-4322.10 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₀H₁₁IO₄
Molar mass: 322.10 g/mol
Exact mass: 321.9702 Da
Melting point: 160.5 °C
logP: 2.32Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed18.6% of notifiers
H315 Causes skin irritation35.6% of notifiers
H319 Causes serious eye irritation35.6% of notifiers
H335 May cause respiratory irritation32.2% of notifiers

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3240-34-4

SMILES

CC(=O)OI(OC(C)=O)c1ccccc1

InChIKey

ZBIKORITPGTTGI-UHFFFAOYSA-N

InChI

InChI=1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

24 names · show all

Iodine, bis(acetato-κO)phenyl-
Benzene, (diacetoxyiodo)-
Iodine, bis(acetato-O)phenyl-
Benzene, (dihydroxyiodo)-, diacetate
Benzene, iodoso-, diacetate
Bis(acetato-κO)phenyliodine
Phenyliodoso acetate
Iodosobenzene diacetate
Phenyliodine diacetate
Phenyliodoso diacetate
Phenyliodo diacetate
Bis(acetato)phenyliodine
Phenyliodine(III) diacetate
Phenyliodosyl diacetate
Iodobenzene diacetate
[Bis(acetoxy)iodo]benzene
Phenyliodonium diacetate
Iodophenyl diacetate
Iodosylbenzene diacetate
PIDA
NSC 226375
NSC 23801
BAIB
Diacetoxy(phenyl)iodine

Reactions

IODOSOBENZENE DIACETATE (Benzene, iodoso-, diacetate)product

Work with (Diacetoxyiodo)benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenyl acetate122-79-250 % similar (Bis(trifluoroacetoxy)iodo)benzene2712-78-950 % similar 1-Phenylethyl acetate93-92-547 % similar Benzyl acetate140-11-445 % similar Phenylmethanediol diacetate581-55-545 % similar Phenethyl acetate103-45-744 % similar p-Phenylphenyl acetate148-86-744 % similar Acetozone644-31-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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