chempirical

Triphenylphosphonium bromide

C18H16BrPCAS 6399-81-1343.20 g/mol

Open in Covalent MOL file
HBrP
Phosphine

Properties

Molecular formula
C18H16BrP
Molar mass
343.20 g/mol
Exact mass
342.0173 Da
Melting point
202 °C
logP
4.02Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
6399-81-1
SMILES
Br.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIKey
CMSYDJVRTHCWFP-UHFFFAOYSA-N
InChI
InChI=1S/C18H15P.BrH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H

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

Names and synonyms

4 names
  • Phosphine, triphenyl-, hydrobromide (1:1)
  • Phosphine, triphenyl-, hydrobromide
  • Phosphine, triphenyl-, compd. with hydrobromic acid
  • Triphenylphosphine hydrobromide

Work with 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

Triphenylphosphine603-35-080 % similar 1,4-Bis(diphenylphosphino)benzene1179-06-275 % similar Tetrakis(triphenylphosphine)palladium14221-01-367 % similar Tetrakis(triphenylphosphine)platinum14221-02-467 % similar Hydrotetrakis(triphenylphosphine)rhodium18284-36-167 % similar Dichlorotris(triphenylphosphine)ruthenium(II)15529-49-460 % similar Bis(triphenylphosphine)palladium chloride13965-03-257 % similar Chloro(triphenylphosphine)gold(I)14243-64-257 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook