Tetraphenylphosphonium bromide

C₂₄H₂₀BrPCAS 2751-90-8419.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₂₀BrP
Molar mass: 419.30 g/mol
Exact mass: 418.0486 Da
Melting point: 286–288 °C
logP: 1.31Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation56.3% of notifiers
H319 Causes serious eye irritation98.9% of notifiers
H335 May cause respiratory irritation55.2% of notifiers

Aggregated from 87 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

2751-90-8

SMILES

[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

InChIKey

BRKFQVAOMSWFDU-UHFFFAOYSA-M

InChI

InChI=1S/C24H20P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1

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Names and synonyms

7 names

Phosphonium, tetraphenyl-, bromide (1:1)
Phosphonium, tetraphenyl-, bromide
Tetraphenylphosphorus bromide
TPP-PB
TTP-PB
Bromotetraphenylphosphorane
T 1069

Work with Tetraphenylphosphonium 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tetraphenylphosphonium chloride2001-45-8Salt Tetraphenylphosphonium iodide2065-67-0Salt Tetraphenylphosphonium phenoxide15464-47-8Salt Tetraphenylphosphonium tetraphenylborate15525-15-2Salt

Similar compounds

Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-557 % similar Methyltriphenylphosphonium bromide1779-49-357 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-652 % similar Bromomethyltriphenylphosphonium bromide1034-49-750 % similar Cyclopropyltriphenylphosphonium bromide14114-05-750 % similar Benzyltriphenylphosphonium bromide1449-46-350 % similar Ethyltriphenylphosphonium bromide1530-32-150 % similar (p-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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