Diphenyliodonium bromide

C₁₂H₁₀BrICAS 1483-73-4361.02 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₂H₁₀BrI
Molar mass: 361.02 g/mol
Exact mass: 359.9011 Da
Melting point: 208 °C (decomposes)
logP: -3.18Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled16.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1483-73-4

SMILES

[Br-].c1ccc([I+]c2ccccc2)cc1

InChIKey

LGPSGXJFQQZYMS-UHFFFAOYSA-M

InChI

InChI=1S/C12H10I.BrH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1

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

Names and synonyms

4 names

Iodonium, diphenyl-, bromide (1:1)
Iodonium, diphenyl-, bromide
NSC 8980
Bromo(diphenyl)-λ 3-iodane

Work with Diphenyliodonium bromide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Diphenyliodonium triflate66003-76-7Salt Diphenyliodonium chloride1483-72-3Salt Diphenyliodonium hexafluorophosphate58109-40-3Salt Diphenyliodonium nitrate722-56-5Salt Diphenyliodonium iodide2217-79-0Salt

Similar compounds

p,p′-Dimethoxydiphenyliodonium bromide19231-06-244 % similar Tetraphenylphosphonium bromide2751-90-843 % similar Bromotris(triphenylphosphine)rhodium14973-89-838 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-538 % similar Phenyltrimethylammonium bromide16056-11-438 % similar Methyltriphenylphosphonium bromide1779-49-338 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-635 % similar Bromomethyltriphenylphosphonium bromide1034-49-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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