chempirical

Tetrabutylphosphonium bromide

C16H36BrPCAS 3115-68-2339.34 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C16H36BrP
Molar mass
339.34 g/mol
Exact mass
338.1738 Da
Melting point
99–101 °C
logP
3.21Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
12

Identifiers

CAS number
3115-68-2
SMILES
CCCC[P+](CCCC)(CCCC)CCCC.[Br-]
InChIKey
RKHXQBLJXBGEKF-UHFFFAOYSA-M
InChI
InChI=1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1

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

Names and synonyms

10 names
  • Phosphonium, tetrabutyl-, bromide (1:1)
  • Phosphonium, tetrabutyl-, bromide
  • Tetra-n-butylphosphonium bromide
  • PX 4B
  • NSC 41942
  • Cyphos 443W
  • TBP-BB
  • T 1124
  • Cyphos IL 163
  • Cyphos 163

Work with Tetrabutylphosphonium 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 bromide14937-45-284 % similar Tetraoctylphosphonium bromide23906-97-079 % similar Tetrabutylphosphonium hydroxide14518-69-568 % similar Tetrabutylphosphonium chloride2304-30-568 % similar Tetrabutylphosphonium iodide3115-66-068 % similar Tributyltetradecylphosphonium chloride81741-28-859 % similar Butyltriphenylphosphonium bromide1779-51-746 % similar Tetrabutylammonium bromide1643-19-245 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook