chempirical

(4-Pentenyl)triphenylphosphonium bromide

C23H24BrPCAS 56771-29-0411.32 g/mol

Open in Covalent MOL file
P+Br−
Alkene

Properties

Molecular formula
C23H24BrP
Molar mass
411.32 g/mol
Exact mass
410.0799 Da
logP
1.95Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
56771-29-0
SMILES
C=CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChIKey
KANICXDUFCDRDS-UHFFFAOYSA-M
InChI
InChI=1S/C23H24P.BrH/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h2,4-12,14-19H,1,3,13,20H2;1H/q+1;/p-1

Weigh it out

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

Work with (4-Pentenyl)triphenylphosphonium bromide

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

Tetramethylenebis[triphenylphosphonium] dibromide15546-42-666 % similar Allyltriphenylphosphonium bromide1560-54-963 % similar Triphenyl(3-phenylpropyl)phosphonium bromide7484-37-959 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-559 % similar Butyltriphenylphosphonium bromide1779-51-756 % similar (3-Bromopropyl)triphenylphosphonium bromide3607-17-856 % similar Pentyltriphenylphosphonium bromide21406-61-154 % similar (4-Bromobutyl)triphenylphosphanium bromide7333-63-354 % similar

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

Same formula

Cyclopentyltriphenylphosphonium bromide7333-52-0

Elsewhere

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