Dess-Martin periodinane

C₁₃H₁₃IO₈CAS 87413-09-0424.14 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₃H₁₃IO₈
Molar mass: 424.14 g/mol
Exact mass: 423.9655 Da
Melting point: 134 °C
logP: 1.95Crippen estimate
Polar surface area: 105.2 Å²
H-bond donors / acceptors: 0 / 8
Rotatable bonds: 3

Hazards

Danger

H272 May intensify fire; oxidizer15.7% of notifiers
H302 Harmful if swallowed84.3% of notifiers
H312 Harmful in contact with skin84.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled84.3% of notifiers
H335 May cause respiratory irritation96.1% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P220, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

87413-09-0

SMILES

CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21

InChIKey

NKLCNNUWBJBICK-UHFFFAOYSA-N

InChI

InChI=1S/C13H13IO8/c1-8(15)19-14(20-9(2)16,21-10(3)17)12-7-5-4-6-11(12)13(18)22-14/h4-7H,1-3H3

Weigh it out

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

Names and synonyms

10 names

Dess–martin periodinane
Acetic acid, 1,1′,1′′-(3-oxo-1λ5-1,2-benziodoxol-1(3H)-ylidyne) ester
1,2-Benziodoxol-3(1H)-one, 1,1,1-tris(acetyloxy)-1,1-dihydro-
Martin's reagent
Dess-Martin reagent
Reagents, martin's
Triacetoxyperiodinane
1,1,1-Tris(acetyloxy)-1,1-dihydro-1,2-benziodoxol-3(1H)-one
1,1,1-Triacetoxy-1,1-dihydro-1,2-benziodoxol-3(1H)-one
(1,1-Diacetoxy-3-oxo-1,2-benziodoxol-1-yl) acetate

Reactions

The dess-martin periodinane: 1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3(1H)-one (1,2-Benziodoxol-3(1H)-one, 1,1,1-tris(acetyloxy)-1,1-dihydro-)product

Work with Dess-Martin periodinane

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

Methyl 2-acetoxybenzoate580-02-943 % similar Acetozone644-31-541 % similar Guacetisal55482-89-840 % similar Acetylsalicylsalicylic acid530-75-639 % similar Dimethyl phthalate131-11-339 % similar Phthalic anhydride85-44-938 % similar Phenyl acetate122-79-238 % similar Aspirin50-78-237 % similar

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

Elsewhere

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