chempirical

Tetraoctylphosphonium bromide

C32H68BrPCAS 23906-97-0563.77 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C32H68BrP
Molar mass
563.77 g/mol
Exact mass
562.4242 Da
Melting point
42 °C
logP
9.45Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
28

Identifiers

CAS number
23906-97-0
SMILES
CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]
InChIKey
QVBRLOSUBRKEJW-UHFFFAOYSA-M
InChI
InChI=1S/C32H68P.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1

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Names and synonyms

4 names
  • Phosphonium, tetraoctyl-, bromide (1:1)
  • Phosphonium, tetraoctyl-, bromide
  • Cyphos IL 166
  • Cyphos 166

Work with Tetraoctylphosphonium 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

Hexadecyltributylphosphonium bromide14937-45-295 % similar Tetrabutylphosphonium bromide3115-68-279 % similar Tributyltetradecylphosphonium chloride81741-28-868 % similar Tetrabutylphosphonium hydroxide14518-69-555 % similar Tetrabutylphosphonium chloride2304-30-555 % similar Tetrabutylphosphonium iodide3115-66-055 % similar Decane124-18-550 % similar Heptyltriphenylphosphonium bromide13423-48-850 % similar

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

Elsewhere

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