(2-Hydroxyethyl)triphenylphosphonium bromide

C20H20BrOPCAS 7237-34-5387.26 g/mol

Open in Covalent MOL file
P+HOBr−
Alcohol

Properties

Molecular formula
C20H20BrOP
Molar mass
387.26 g/mol
Exact mass
386.0435 Da
logP
-0.02Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
7237-34-5
SMILES
C1=CC=C(C=C1)[P+](CCO)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChIKey
QZJOQNHOOVSESC-UHFFFAOYSA-M
InChI
InChI=1S/C20H20OP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1

Weigh it out

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Work with (2-Hydroxyethyl)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

Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-571 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-665 % similar Propyltriphenylphosphonium bromide6228-47-359 % similar Triphenyl(3-phenylpropyl)phosphonium bromide7484-37-959 % similar Butyltriphenylphosphonium bromide1779-51-755 % similar (3-Bromopropyl)triphenylphosphonium bromide3607-17-855 % similar (2-(Dimethylamino)ethyl)triphenylphosphonium bromide21331-80-653 % similar Pentyltriphenylphosphonium bromide21406-61-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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