Hexyltriphenylphosphonium bromide

C24H28BrPCAS 4762-26-9427.37 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C24H28BrP
Molar mass
427.37 g/mol
Exact mass
426.1112 Da
Melting point
195–198 °C
logP
2.56Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4762-26-9
SMILES
CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
PWDFZWZPWFYFTC-UHFFFAOYSA-M
InChI
InChI=1S/C24H28P.BrH/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;/h5-13,15-20H,2-4,14,21H2,1H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

6 names
  • Phosphonium, hexyltriphenyl-, bromide (1:1)
  • Phosphonium, hexyltriphenyl-, bromide
  • n-Hexyltriphenylphosphonium bromide
  • 1-Hexyltriphenylphosphonium bromide
  • NSC 151420
  • TP 6

Work with Hexyltriphenylphosphonium 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

Heptyltriphenylphosphonium bromide13423-48-8100 % similar 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 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