chempirical

Allyltriphenylphosphonium chloride

C21H20ClPCAS 18480-23-4338.81 g/mol

Open in Covalent MOL file
P+Cl−
Alkene

Properties

Molecular formula
C21H20ClP
Molar mass
338.81 g/mol
Exact mass
338.0991 Da
logP
1.17Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
18480-23-4
SMILES
C=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey
FKMJROWWQOJRJX-UHFFFAOYSA-M
InChI
InChI=1S/C21H20P.ClH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;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, triphenyl-2-propen-1-yl-, chloride (1:1)
  • Phosphonium, allyltriphenyl-, chloride
  • Phosphonium, triphenyl-2-propenyl-, chloride
  • NSC 126440

Work with Allyltriphenylphosphonium 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

Allyltriphenylphosphonium bromide1560-54-978 % similar (But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride106423-29-467 % similar (Formylmethyl)triphenylphosphonium chloride62942-43-260 % similar Benzyltriphenylphosphonium chloride1100-88-550 % similar 1,4-Xylylenebis(triphenylphosphonium chloride)1519-47-750 % similar (Hydroxymethyl)triphenylphosphonium chloride5293-83-450 % similar (Chloromethyl)triphenylphosphonium chloride5293-84-550 % similar Ethyltriphenylphosphonium chloride896-33-350 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook