chempirical

Octyltriphenylphosphonium bromide

C26H32BrPCAS 42036-78-2455.42 g/mol

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P+Br−

Properties

Molecular formula
C26H32BrP
Molar mass
455.42 g/mol
Exact mass
454.1425 Da
logP
3.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
10

Identifiers

CAS number
42036-78-2
SMILES
CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
OBLXVLWZBMAMHE-UHFFFAOYSA-M
InChI
InChI=1S/C26H32P.BrH/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26;/h7-15,17-22H,2-6,16,23H2,1H3;1H/q+1;/p-1

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Names and synonyms

3 names
  • Phosphonium, octyltriphenyl-, bromide (1:1)
  • Phosphonium, octyltriphenyl-, bromide
  • n-Octyltriphenylphosphonium bromide

Work with Octyltriphenylphosphonium 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

Heptyltriphenylphosphonium bromide13423-48-8100 % similar Hexadecyltriphenylphosphonium bromide14866-43-4100 % similar Dodecyltriphenylphosphonium bromide15510-55-1100 % similar Tetradecyltriphenylphosphonium bromide25791-20-2100 % similar Decyltriphenylphosphonium bromide32339-43-8100 % similar Hexyltriphenylphosphonium bromide4762-26-9100 % similar Pentyltriphenylphosphonium bromide21406-61-196 % similar Butyltriphenylphosphonium bromide1779-51-786 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook