Tetrabutylphosphonium bromide

C₁₆H₃₆BrPCAS 3115-68-2339.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₃₆BrP
Molar mass: 339.34 g/mol
Exact mass: 338.1738 Da
Melting point: 99–101 °C
logP: 3.21Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 12

Hazards

Danger

H302 Harmful if swallowed99.4% of notifiers
H311 Toxic in contact with skin93.9% of notifiers
H315 Causes skin irritation30.7% of notifiers
H317 May cause an allergic skin reaction69.3% of notifiers
H318 Causes serious eye damage97.5% of notifiers
H335 May cause respiratory irritation27% of notifiers
H361fd Suspected of damaging fertility; Suspected of damaging the unborn child65% of notifiers
H411 Toxic to aquatic life with long lasting effects70.6% of notifiers

Aggregated from 163 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

3115-68-2

SMILES

CCCC[P+](CCCC)(CCCC)CCCC.[Br-]

InChIKey

RKHXQBLJXBGEKF-UHFFFAOYSA-M

InChI

InChI=1S/C16H36P.BrH/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

10 names

Phosphonium, tetrabutyl-, bromide (1:1)
Phosphonium, tetrabutyl-, bromide
Tetra-n-butylphosphonium bromide
PX 4B
NSC 41942
Cyphos 443W
TBP-BB
T 1124
Cyphos IL 163
Cyphos 163

Work with Tetrabutylphosphonium 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

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 iodide3115-66-0Salt Tetrabutylphosphonium chloride2304-30-5Salt Tetrabutylphosphonium hydroxide14518-69-5Salt

Similar compounds

Hexadecyltributylphosphonium bromide14937-45-284 % similar Tributyldodecylphosphonium bromide15294-63-084 % similar Tetraoctylphosphonium bromide23906-97-079 % similar Tri-n-butyl tetradecyl phosphonium chloride81741-28-859 % similar Butyltriphenylphosphonium bromide1779-51-746 % similar Tetrabutylammonium bromide1643-19-245 % similar Tetraoctylammonium bromide14866-33-242 % similar Tetradecylammonium bromide14937-42-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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