Cyclopentyltriphenylphosphonium bromide

C23H24BrPCAS 7333-52-0411.32 g/mol

Open in Covalent MOL file
Br−P+

Properties

Molecular formula
C23H24BrP
Molar mass
411.32 g/mol
Exact mass
410.0799 Da
Melting point
261–263 °C
logP
1.93Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7333-52-0
SMILES
[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)C2CCCC2)cc1
InChIKey
WZYWSVSFFTZZPE-UHFFFAOYSA-M
InChI
InChI=1S/C23H24P.BrH/c1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17,23H,10-11,18-19H2;1H/q+1;/p-1

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

Names and synonyms

2 names
  • Phosphonium, cyclopentyltriphenyl-, bromide (1:1)
  • Phosphonium, cyclopentyltriphenyl-, bromide

Work with Cyclopentyltriphenylphosphonium 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

Cyclohexyltriphenylphosphonium bromide7333-51-996 % similar Cyclopropyltriphenylphosphonium bromide14114-05-783 % similar sec-Butyltriphenylphosphonium bromide3968-92-148 % similar (Cyclopropylmethyl)triphenylphosphonium bromide14799-82-748 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-648 % similar Bromomethyltriphenylphosphonium bromide1034-49-747 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-546 % similar Tetraphenylphosphonium bromide2751-90-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Pentenyl)triphenylphosphonium bromide56771-29-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook