chempirical

Benzyltriphenylphosphonium bromide

C25H22BrPCAS 1449-46-3433.33 g/mol

Open in Covalent MOL file
Br−P+

Properties

Molecular formula
C25H22BrP
Molar mass
433.33 g/mol
Exact mass
432.0643 Da
Melting point
288 °C
logP
2.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
1449-46-3
SMILES
[Br-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
WTEPWWCRWNCUNA-UHFFFAOYSA-M
InChI
InChI=1S/C25H22P.BrH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1

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Names and synonyms

11 names
  • Phosphonium, triphenyl(phenylmethyl)-, bromide (1:1)
  • Phosphonium, benzyltriphenyl-, bromide
  • Phosphonium, triphenyl(phenylmethyl)-, bromide
  • Triphenylbenzylphosphonium bromide
  • (Phenylmethyl)triphenylphosphonium bromide
  • U-CAT SA 5003
  • Triphenyl(phenylmethyl)phosphonium bromide
  • NSC 54813
  • Bromo(benzyl)triphenylphosphorane
  • PX 2H
  • B 2025

Work with Benzyltriphenylphosphonium 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

(p-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-691 % similar Benzyltriphenylphosphonium chloride1100-88-575 % similar (p-Methylbenzyl)triphenylphosphonium bromide2378-86-171 % similar 1,4-Xylylenebis(triphenylphosphonium chloride)1519-47-768 % similar Triphenyl(3-phenylpropyl)phosphonium bromide7484-37-963 % similar Ethylenebis[triphenylphosphonium bromide]1519-45-563 % similar (4-Ethoxybenzyl)triphenylphosphonium bromide82105-88-261 % similar (4-Nitrobenzyl)triphenylphosphonium bromide2767-70-659 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook