chempirical

Diphenyliodonium bromide

C12H10BrICAS 1483-73-4361.02 g/mol

Open in Covalent MOL file
Br−I+
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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

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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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

Similar compounds

Diphenyliodonium chloride1483-72-367 % similar Diphenyliodonium hexafluorophosphate58109-40-357 % similar Diphenyliodonium nitrate722-56-550 % similar Tetraphenylphosphonium bromide2751-90-843 % similar Diphenyliodonium triflate66003-76-740 % similar Bromotris(triphenylphosphine)rhodium14973-89-838 % similar Ethylenebis[triphenylphosphonium bromide]1519-45-538 % similar Phenyltrimethylammonium bromide16056-11-438 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook