chempirical

(2,4-Dichlorobenzyl)triphenylphosphonium chloride

C25H20Cl3PCAS 2492-23-1457.76 g/mol

Open in Covalent MOL file
ClP+ClCl−
Aryl halide

Properties

Molecular formula
C25H20Cl3P
Molar mass
457.76 g/mol
Exact mass
456.0368 Da
Melting point
246–249 °C
logP
3.49Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
2492-23-1
SMILES
Clc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1.[Cl-]
InChIKey
FWBSWSPGFNAXPP-UHFFFAOYSA-M
InChI
InChI=1S/C25H20Cl2P.ClH/c26-21-17-16-20(25(27)18-21)19-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-18H,19H2;1H/q+1;/p-1

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

Names and synonyms

4 names
  • Phosphonium, [(2,4-dichlorophenyl)methyl]triphenyl-, chloride (1:1)
  • Phosphonium, (2,4-dichlorobenzyl)triphenyl-, chloride
  • Phosphonium, [(2,4-dichlorophenyl)methyl]triphenyl-, chloride
  • NSC 124000

Work with (2,4-Dichlorobenzyl)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

(p-Chlorobenzyl)triphenylphosphonium chloride1530-39-859 % similar 1-Naphthylmethyltriphenylphosphonium chloride23277-00-150 % similar (2-Methylbenzyl)triphenylphosphonium chloride63368-36-548 % similar Benzyltriphenylphosphonium chloride1100-88-547 % similar 1,4-Xylylenebis(triphenylphosphonium chloride)1519-47-747 % similar 2,4-Dichlorobenzyl chloride94-99-546 % similar (3-Methylbenzyl)triphenylphosphonium chloride63368-37-645 % similar 2,4-Dichlorobenzeneacetonitrile6306-60-145 % similar

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

Elsewhere

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