(4-Bromobenzyl)triphenylphosphonium bromide

C₂₅H₂₁Br₂PCAS 51044-13-4512.22 g/mol

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Properties

Molecular formula: C₂₅H₂₁Br₂P
Molar mass: 512.22 g/mol
Exact mass: 509.9748 Da
logP: 2.95Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 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

51044-13-4

SMILES

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)Br)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChIKey

FQJYKXVQABPCRA-UHFFFAOYSA-M

InChI

InChI=1S/C25H21BrP.BrH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1

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Names and synonyms

1 names

[(4-Bromophenyl)methyl]triphenylphosphanium bromide

Work with (4-Bromobenzyl)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

(p-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-678 % similar Benzyltriphenylphosphonium bromide1449-46-371 % similar (p-Methylbenzyl)triphenylphosphonium bromide2378-86-164 % similar (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-760 % similar 4-Ethoxybenzyltriphenylphosphonium bromide82105-88-255 % similar Benzyltriphenylphosphonium chloride1100-88-555 % similar (4-Nitrobenzyl)triphenylphosphonium bromide2767-70-654 % similar Bromomethyltriphenylphosphonium bromide1034-49-750 % similar

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

Elsewhere

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