chempirical

Heptyltriphenylphosphonium bromide

C25H30BrPCAS 13423-48-8441.39 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C25H30BrP
Molar mass
441.39 g/mol
Exact mass
440.1269 Da
Melting point
170 °C
logP
2.95Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
9

Identifiers

CAS number
13423-48-8
SMILES
CCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
WCZSOHSGMBVYFW-UHFFFAOYSA-M
InChI
InChI=1S/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1

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

Names and synonyms

6 names
  • Phosphonium, heptyltriphenyl-, bromide (1:1)
  • Phosphonium, heptyltriphenyl-, bromide
  • n-Heptyltriphenylphosphonium bromide
  • Triphenylheptylphosphonium bromide
  • Bromo(heptyl)triphenylphosphorane
  • H 0545

Work with Heptyltriphenylphosphonium 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

Hexadecyltriphenylphosphonium bromide14866-43-4100 % similar Dodecyltriphenylphosphonium bromide15510-55-1100 % similar Tetradecyltriphenylphosphonium bromide25791-20-2100 % similar Decyltriphenylphosphonium bromide32339-43-8100 % similar Octyltriphenylphosphonium bromide42036-78-2100 % similar Hexyltriphenylphosphonium bromide4762-26-9100 % similar Pentyltriphenylphosphonium bromide21406-61-196 % similar Butyltriphenylphosphonium bromide1779-51-786 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook