Tetrabutylammonium tribromide

C₁₆H₃₆Br₃NCAS 38932-80-8482.18 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₆H₃₆Br₃N
Molar mass: 482.18 g/mol
Exact mass: 479.0398 Da
Melting point: 72–73 °C
logP: 3.70Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 12

Hazards

Danger

H314 Causes severe skin burns and eye damage13.5% of notifiers
H315 Causes skin irritation86.5% of notifiers
H319 Causes serious eye irritation86.5% of notifiers
H335 May cause respiratory irritation86.5% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

38932-80-8

SMILES

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

InChIKey

XXSLZJZUSYNITM-UHFFFAOYSA-N

InChI

InChI=1S/C16H36N.Br3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-2/h5-16H2,1-4H3;/q+1;-1

Weigh it out

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

Names and synonyms

5 names

1-Butanaminium, N,N,N-tributyl-, (tribromide) (1:1)
1-Butanaminium, N,N,N-tributyl-, (tribromide)
Bromide (Br31-), N,N,N-tributyl-1-butanaminium
N,N,N,N-Tetrabutylammonium tribromide
Tetra-n-butylammonium tribromide

Work with Tetrabutylammonium tribromide

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.

Similar compounds

Tetrapentylammonium iodide2498-20-650 % similar Tetrapentylammonium chloride4965-17-750 % similar Tetraoctylammonium bromide14866-33-248 % similar Tetradecylammonium bromide14937-42-948 % similar Tetrahexylammonium iodide2138-24-148 % similar Tetraheptylammonium iodide3535-83-948 % similar Tetrahexylammonium bromide4328-13-648 % similar Tetraheptylammonium bromide4368-51-848 % similar

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

Elsewhere

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