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Merck
CN

189138

Tetrabutylphosphonium bromide

greener alternative

98%, solid

Synonym(s):

Tetra-n-butylphosphonium bromide

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About This Item

Linear Formula:
(CH3CH2CH2CH2)4P(Br)
CAS Number:
3115-68-2
Molecular Weight:
339.33
NACRES:
NA.22
PubChem Substance ID:
24851366
UNSPSC Code:
12352001
EC Number:
221-487-8
MDL number:
MFCD00011853
Beilstein/REAXYS Number:
4160474

Key Documents

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Product Name

Tetrabutylphosphonium bromide, 98%

InChI key

RKHXQBLJXBGEKF-UHFFFAOYSA-M

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

SMILES string

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

assay

98%

form

solid

greener alternative product characteristics

Catalysis
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sustainability

Greener Alternative Product

mp

100-103 °C (lit.)

greener alternative category

, Aligned

Quality Level

200

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Application

Tetrabutylphosphonium bromide (TBPB) is a quaternary salt which can be used:
  • As a medium to disperse ruthenium catalyst for the synthesis of ethylene glycol from synthesis gas via ruthenium melt catalysis.
  • As a catalyst supported on silica or alumina for the halogen exchange reaction to synthesize alkyl bromide from alkyl chloride.
  • To synthesize various ionic liquids on mixing with different proportions of 1,3-dimethylurea for capturing NO gas.
  • As a hydrogen-bond acceptor along with levulinic acid as a hydrogen-bond donor for the preparation of deep eutectic solvents to separate toluene from toluene/n-hexane mixtures.
  • To prepare ionic semiclathrate hydrates.

General description

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Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Met. Corr. 1 - Repr. 2 - Skin Sens. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

flash_point_f

554.0 °F - closed cup

flash_point_c

290 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF7137V
WXBF5405V
WXBF4958V
WXBF2574V
WXBF4294V

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Thermodynamic properties of ionic semiclathrate hydrate formed with tetrabutylphosphonium bromide
Suginaka T
Fluid Phase Equilibria, 317(1), 25-28 (2012)
Yoshiro Yasaka et al.
Chemphyschem : a European journal of chemical physics and physical chemistry, 19(13), 1674-1682 (2018-04-25)
The mechanism of CO2 absorption by a formate ionic liquid, [P4444 ]HCOO, was studied by Raman spectroscopy. The band area for the symmetric CO2 stretching of the formate anion linearly decreases with the CO2 loading. From the slope of the
1, 3-Dimethylurea tetrabutylphosphonium bromide ionic liquids for NO efficient and reversible capture
Jiang B, et al.
Energy and Fuels, 30(1), 735-739 (2016)
Separation of toluene from toluene/alkane mixtures with phosphonium salt based deep eutectic solvents
Hou Y et al.
Fuel Processing Technology, 135(1), 99-104 (2015)
Ainul F Kamarudin et al.
Molecules (Basel, Switzerland), 25(21) (2020-11-07)
Deep eutectic solvents (DESs) are green solvents developed as an alternative to conventional organic solvents and ionic liquids to extract nitrogen compounds from fuel oil. DESs based on p-toluenesulfonic acid (PTSA) are a new solvent class still under investigation for
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