chempirical

Allyltriphenylphosphonium bromide

C21H20BrPCAS 1560-54-9383.27 g/mol

Open in Covalent MOL file
P+Br−
Alkene

Properties

Molecular formula
C21H20BrP
Molar mass
383.27 g/mol
Exact mass
382.0486 Da
Melting point
209 °C
logP
1.17Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
1560-54-9
SMILES
C=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
FWYKRJUVEOBFGH-UHFFFAOYSA-M
InChI
InChI=1S/C21H20P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1

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Names and synonyms

10 names
  • Phosphonium, triphenyl-2-propen-1-yl-, bromide (1:1)
  • Phosphonium, allyltriphenyl-, bromide
  • Phosphonium, triphenyl-2-propenyl-, bromide
  • Triphenylallylphosphonium bromide
  • 2-Propenyltriphenylphosphonium bromide
  • Triphenyl(2-propenyl)phosphonium bromide
  • NSC 110609
  • NSC 59815
  • A 1007
  • Hishicolin PX 4B

Work with Allyltriphenylphosphonium 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

Allyltriphenylphosphonium chloride18480-23-478 % similar Ethylenebis[triphenylphosphonium bromide]1519-45-556 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-652 % similar Bromomethyltriphenylphosphonium bromide1034-49-750 % similar (But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride106423-29-450 % similar Benzyltriphenylphosphonium bromide1449-46-350 % similar Ethyltriphenylphosphonium bromide1530-32-150 % similar (p-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-650 % similar

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

Same formula

Cyclopropyltriphenylphosphonium bromide14114-05-7

Elsewhere

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