chempirical

Butyltriphenylphosphonium chloride

C22H24ClPCAS 13371-17-0354.86 g/mol

Open in Covalent MOL file
P+Cl−

Properties

Molecular formula
C22H24ClP
Molar mass
354.86 g/mol
Exact mass
354.1304 Da
Melting point
220–222 °C
logP
1.78Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
13371-17-0
SMILES
CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey
MFIUDWFSVDFDDY-UHFFFAOYSA-M
InChI
InChI=1S/C22H24P.ClH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

4 names
  • Phosphonium, butyltriphenyl-, chloride (1:1)
  • Phosphonium, butyltriphenyl-, chloride
  • Triphenylbutylphosphonium chloride
  • n-Butyl(triphenyl)phosphonium chloride

Work with Butyltriphenylphosphonium 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

Butyltriphenylphosphonium bromide1779-51-779 % similar Pentyltriphenylphosphonium bromide21406-61-170 % similar Heptyltriphenylphosphonium bromide13423-48-868 % similar Hexadecyltriphenylphosphonium bromide14866-43-468 % similar Dodecyltriphenylphosphonium bromide15510-55-168 % similar Tetradecyltriphenylphosphonium bromide25791-20-268 % similar Decyltriphenylphosphonium bromide32339-43-868 % similar Octyltriphenylphosphonium bromide42036-78-268 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook