chempirical

Ethyltriphenylphosphonium chloride

C20H20ClPCAS 896-33-3326.80 g/mol

Open in Covalent MOL file
P+Cl−

Properties

Molecular formula
C20H20ClP
Molar mass
326.80 g/mol
Exact mass
326.0991 Da
Melting point
234–236 °C
logP
1.00Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
896-33-3
SMILES
CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey
NJXBVBPTDHBAID-UHFFFAOYSA-M
InChI
InChI=1S/C20H20P.ClH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1

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Names and synonyms

3 names
  • Phosphonium, ethyltriphenyl-, chloride (1:1)
  • Phosphonium, ethyltriphenyl-, chloride
  • Triphenylethylphosphonium chloride

Work with Ethyltriphenylphosphonium 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

Ethyltriphenylphosphonium bromide1530-32-175 % similar Ethyltriphenylphosphonium iodide4736-60-175 % similar Butyltriphenylphosphonium chloride13371-17-059 % similar Ethyltriphenylphosphonium acetate35835-94-056 % similar 1,4-Xylylenebis(triphenylphosphonium chloride)1519-47-756 % similar (Hydroxymethyl)triphenylphosphonium chloride5293-83-456 % similar (Chloromethyl)triphenylphosphonium chloride5293-84-556 % similar (Methoxymethyl)triphenylphosphonium chloride4009-98-755 % similar

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

Elsewhere

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