Tetrabutylphosphonium iodide

C16H36IPCAS 3115-66-0386.34 g/mol

Open in Covalent MOL file
P+I−

Properties

Molecular formula
C16H36IP
Molar mass
386.34 g/mol
Exact mass
386.1599 Da
Melting point
95–96 °C
logP
3.21Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
12

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
3115-66-0
SMILES
CCCC[P+](CCCC)(CCCC)CCCC.[I-]
InChIKey
CCIYPTIBRAUPLQ-UHFFFAOYSA-M
InChI
InChI=1S/C16H36P.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

3 names
  • Phosphonium, tetrabutyl-, iodide (1:1)
  • Phosphonium, tetrabutyl-, iodide
  • NSC 104836

Work with Tetrabutylphosphonium iodide

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.

Tetrabutylphosphonium bromide3115-68-2Salt Tetrabutylphosphonium chloride2304-30-5Salt Tetrabutylphosphonium hydroxide14518-69-5Salt

Similar compounds

Tributylmethylphosphonium iodide1702-42-762 % similar Hexadecyltributylphosphonium bromide14937-45-259 % similar Tributyldodecylphosphonium bromide15294-63-059 % similar Tri-n-butyl tetradecyl phosphonium chloride81741-28-859 % similar Tetraoctylphosphonium bromide23906-97-055 % similar Tetra-n-butylammonium iodide311-28-445 % similar Tetrapentylammonium iodide2498-20-643 % similar Tetrahexylammonium iodide2138-24-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook