chempirical

(p-Chlorobenzyl)triphenylphosphonium chloride

C25H21Cl2PCAS 1530-39-8423.32 g/mol

Open in Covalent MOL file
ClP+Cl−
Aryl halide

Properties

Molecular formula
C25H21Cl2P
Molar mass
423.32 g/mol
Exact mass
422.0758 Da
Melting point
279–281 °C
logP
2.84Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
1530-39-8
SMILES
Clc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIKey
RAHOAHBOOHXRDY-UHFFFAOYSA-M
InChI
InChI=1S/C25H21ClP.ClH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1

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Names and synonyms

4 names
  • Phosphonium, [(4-chlorophenyl)methyl]triphenyl-, chloride (1:1)
  • Phosphonium, (p-chlorobenzyl)triphenyl-, chloride
  • Phosphonium, [(4-chlorophenyl)methyl]triphenyl-, chloride
  • (4-Chlorobenzyl)triphenylphosphonium chloride

Work with (p-Chlorobenzyl)triphenylphosphonium 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)1519-47-778 % similar Benzyltriphenylphosphonium chloride1100-88-571 % similar (p-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-660 % similar (2,4-Dichlorobenzyl)triphenylphosphonium chloride2492-23-159 % similar (4-Methoxybenzyl)triphenylphosphonium chloride3462-97-358 % similar (3-Methylbenzyl)triphenylphosphonium chloride63368-37-656 % similar Benzyltriphenylphosphonium bromide1449-46-355 % similar 3-Methoxybenzyltriphenylphosphonium chloride18880-05-250 % similar

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

Elsewhere

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