chempirical

Benzyltriphenylphosphonium chloride

C25H22ClPCAS 1100-88-5388.87 g/mol

Open in Covalent MOL file
Cl−P+

Properties

Molecular formula
C25H22ClP
Molar mass
388.87 g/mol
Exact mass
388.1148 Da
Melting point
314–315 °C
logP
2.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
1100-88-5
SMILES
[Cl-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
USFRYJRPHFMVBZ-UHFFFAOYSA-M
InChI
InChI=1S/C25H22P.ClH/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

Weigh it out

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

Names and synonyms

9 names
  • Triphenylbenzylphosphonium chloride
  • GM 200
  • NSC 116712
  • BTPPC
  • BPP
  • TPP-ZC
  • Phosphonium, triphenyl(phenylmethyl)-, chloride (1:1)
  • Phosphonium, benzyltriphenyl-, chloride
  • Phosphonium, triphenyl(phenylmethyl)-, chloride

Work with Benzyltriphenylphosphonium chloride

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

1,4-Xylylenebis(triphenylphosphonium chloride)1519-47-791 % similar Benzyltriphenylphosphonium bromide1449-46-375 % similar (p-Chlorobenzyl)triphenylphosphonium chloride1530-39-871 % similar (p-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-668 % similar (3-Methylbenzyl)triphenylphosphonium chloride63368-37-667 % similar (4-Methoxybenzyl)triphenylphosphonium chloride3462-97-365 % similar 3-Methoxybenzyltriphenylphosphonium chloride18880-05-259 % similar (But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride106423-29-456 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook