chempirical

Dodecyltriphenylphosphonium bromide

C30H40BrPCAS 15510-55-1511.53 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C30H40BrP
Molar mass
511.53 g/mol
Exact mass
510.2051 Da
Melting point
93–93.5 °C
logP
4.91Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
14

Identifiers

CAS number
15510-55-1
SMILES
CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
NSIFOGPAKNSGNW-UHFFFAOYSA-M
InChI
InChI=1S/C30H40P.BrH/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;/h11-19,21-26H,2-10,20,27H2,1H3;1H/q+1;/p-1

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

Names and synonyms

7 names
  • Phosphonium, dodecyltriphenyl-, bromide (1:1)
  • Phosphonium, dodecyltriphenyl-, bromide
  • Myxal S
  • D 305
  • Mycal
  • 1-(Triphenylphosphonium)dodecyl bromide
  • Triphenyldodecyl phosphonium bromide

Work with Dodecyltriphenylphosphonium 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 Tetradecyltriphenylphosphonium bromide25791-20-2100 % similar Decyltriphenylphosphonium bromide32339-43-8100 % similar Octyltriphenylphosphonium bromide42036-78-2100 % 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