Hexadecyltributylphosphonium bromide

C28H60BrPCAS 14937-45-2507.67 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C28H60BrP
Molar mass
507.67 g/mol
Exact mass
506.3616 Da
logP
7.89Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
24

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
14937-45-2
SMILES
CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
InChIKey
RYVBINGWVJJDPU-UHFFFAOYSA-M
InChI
InChI=1S/C28H60P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1

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Names and synonyms

8 names
  • Phosphonium, tributylhexadecyl-, bromide (1:1)
  • Phosphonium, tributylhexadecyl-, bromide
  • Tributylhexadecylphosphonium bromide
  • Cetyltributylphosphonium bromide
  • Tributylcetylphosphonium bromide
  • PX 416B
  • TBHDPB
  • Cyphos IL 162

Work with Hexadecyltributylphosphonium 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

Tributyldodecylphosphonium bromide15294-63-0100 % similar Tetraoctylphosphonium bromide23906-97-095 % similar Tetrabutylphosphonium bromide3115-68-284 % similar Tri-n-butyl tetradecyl phosphonium chloride81741-28-873 % similar Tetrabutylphosphonium hydroxide14518-69-559 % similar Tetrabutylphosphonium chloride2304-30-559 % similar Tetrabutylphosphonium iodide3115-66-059 % similar Heptyltriphenylphosphonium bromide13423-48-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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