chempirical

Butyltriphenylphosphonium bromide

C22H24BrPCAS 1779-51-7399.31 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C22H24BrP
Molar mass
399.31 g/mol
Exact mass
398.0799 Da
Melting point
235 °C
logP
1.78Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
1779-51-7
SMILES
CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
IKWKJIWDLVYZIY-UHFFFAOYSA-M
InChI
InChI=1S/C22H24P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

9 names
  • Phosphonium, butyltriphenyl-, bromide (1:1)
  • Phosphonium, butyltriphenyl-, bromide
  • Triphenylbutylphosphonium bromide
  • n-Butyltriphenylphosphonium bromide
  • Butyl bromide triphenylphosphine salt
  • NSC 59684
  • BTPPBr
  • Hishicolin BTPPBr
  • B 0970

Work with Butyltriphenylphosphonium 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

Pentyltriphenylphosphonium bromide21406-61-189 % similar Heptyltriphenylphosphonium bromide13423-48-886 % similar Hexadecyltriphenylphosphonium bromide14866-43-486 % similar Dodecyltriphenylphosphonium bromide15510-55-186 % similar Tetradecyltriphenylphosphonium bromide25791-20-286 % similar Decyltriphenylphosphonium bromide32339-43-886 % similar Octyltriphenylphosphonium bromide42036-78-286 % similar Hexyltriphenylphosphonium bromide4762-26-986 % similar

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

Same formula

Isobutyltriphenylphosphonium bromide22884-29-3 sec-Butyltriphenylphosphonium bromide3968-92-1

Elsewhere

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