(p-Phenylenedimethylene)bis[triphenylphosphonium bromide]

C44H38Br2P2CAS 40817-03-6788.54 g/mol

Open in Covalent MOL file
Br−Br−P+P+

Properties

Molecular formula
C44H38Br2P2
Molar mass
788.54 g/mol
Exact mass
786.0816 Da
Melting point
above 300 °C
logP
2.68Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
10

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
40817-03-6
SMILES
[Br-].[Br-].c1ccc([P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
ZZQVVCXWFPGKJD-UHFFFAOYSA-L
InChI
InChI=1S/C44H38P2.2BrH/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2

Weigh it out

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

Names and synonyms

10 names
  • Phosphonium, 1,1′-[1,4-phenylenebis(methylene)]bis[1,1,1-triphenyl-, bromide (1:2)
  • Phosphonium, [1,4-phenylenebis(methylene)]bis[triphenyl-, dibromide
  • [1,4-Bis(triphenylphosphoniummethyl)benzene]dibromide
  • P,P′-(p-Phenylenedimethylene)bis(triphenylphosphonium bromide)
  • p-Xylylenebis(triphenylphosphonium bromide)
  • 1,4-Xylylenebis(triphenylphosphonium bromide)
  • 1,4-Bis[(triphenylphosphonio)methyl]benzene dibromide
  • [1,4-Phenylenebis(methylene)]bis[triphenylphosphonium dibromide]
  • 1,4-Bis(triphenylphosphonium bromide)benzene
  • (1,4-Phenylenebis(methylene))bis(triphenylphosphonium) dibromide

Work with (p-Phenylenedimethylene)bis[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

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.

(p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-7Salt

Similar compounds

Benzyltriphenylphosphonium bromide1449-46-391 % similar (p-Methylbenzyl)triphenylphosphonium bromide2378-86-178 % similar (4-Bromobenzyl)triphenylphosphonium bromide51044-13-478 % similar Benzyltriphenylphosphonium chloride1100-88-568 % similar 4-Ethoxybenzyltriphenylphosphonium bromide82105-88-266 % similar (4-Nitrobenzyl)triphenylphosphonium bromide2767-70-664 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-563 % similar (p-Chlorobenzyl)triphenylphosphonium chloride1530-39-860 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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