chempirical

1-Naphthylmethyltriphenylphosphonium chloride

C29H24ClPCAS 23277-00-1438.93 g/mol

Open in Covalent MOL file
Cl−P+

Properties

Molecular formula
C29H24ClP
Molar mass
438.93 g/mol
Exact mass
438.1304 Da
Melting point
290–291.5 °C
logP
3.34Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
23277-00-1
SMILES
[Cl-].c1ccc([P+](Cc2cccc3ccccc23)(c2ccccc2)c2ccccc2)cc1
InChIKey
MOYSMPXSEXYEJV-UHFFFAOYSA-M
InChI
InChI=1S/C29H24P.ClH/c1-4-16-26(17-5-1)30(27-18-6-2-7-19-27,28-20-8-3-9-21-28)23-25-15-12-14-24-13-10-11-22-29(24)25;/h1-22H,23H2;1H/q+1;/p-1

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Names and synonyms

6 names
  • Phosphonium, (1-naphthalenylmethyl)triphenyl-, chloride (1:1)
  • Phosphonium, (1-naphthylmethyl)triphenyl-, chloride
  • Phosphonium, (1-naphthalenylmethyl)triphenyl-, chloride
  • FS 1
  • FS 1 (vulcanization accelerator)
  • (1-Naphthalenemethyl)triphenylphosphonium chloride

Work with 1-Naphthylmethyltriphenylphosphonium 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

(2-Methylbenzyl)triphenylphosphonium chloride63368-36-557 % similar Benzyltriphenylphosphonium chloride1100-88-553 % similar 1,4-Xylylenebis(triphenylphosphonium chloride)1519-47-753 % similar (2,4-Dichlorobenzyl)triphenylphosphonium chloride2492-23-150 % similar (p-Chlorobenzyl)triphenylphosphonium chloride1530-39-849 % similar (3-Methylbenzyl)triphenylphosphonium chloride63368-37-646 % similar (2-Hydroxybenzyl)triphenylphosphonium bromide70340-04-445 % similar (But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride106423-29-444 % similar

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

Elsewhere

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