Tetrabutyl phosphonium bromide

Product Information

Molecular Formula:
C16H36P?Br
Molecular Weight:
339.34
Description
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
Synonyms
TETRABUTYLPHOSPHONIUM BROMIDE; TETRA-N-BUTYLPHOSPHONIUM BROMIDE; Bromo(tetrabutyl)phosphorane; Phosphonium, tetrabutyl-, bromide; Phosphonium,tetrabutyl-,bromide; px4b
IUPAC Name
tetrabutylphosphaniumbromide
Canonical SMILES
CCCC[P+](CCCC)(CCCC)CCCC.[Br-]
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
InChI Key
RKHXQBLJXBGEKF-UHFFFAOYSA-M
Melting Point
99-104ºC
Purity
>99.0%(T)
Density
g/cm3
Appearance
White to off-white powder, crystals or crystalline powder
Storage
Keep containers tightly closed. Store protected from moisture. Store in a cool, dry area away from incompatible substances.

Safety Information

Hazards
H310 H302 H315 H319
Precautionary Statement
P501 P270 P262 P264 P280 P337 + P313 P305 + P351 + P338 P361 + P364 P332 + P313 P301 + P312 + P330 P302 + P352 + P310 P405
Signal Word
Danger

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
12
Exact Mass
338.17380 g/mol
Monoisotopic Mass
338.17380 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
116
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114181254-A Preparation method of quaternary phosphine borane cluster compound and application of quaternary phosphine borane cluster compound as alcohol amine color reducing agent 2021-12-28
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CN-113769792-A Regeneration method of supported platinum group metal catalyst 2021-08-25
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Literatures

PMID Publication Date Title Journal
19641887 2009-07-01 Studies on the formation of hydrophobic ion-pairing complex of alendronate Archives of pharmacal research
16855692 2006-08-07 Design and synthesis of hydrophobic and chiral anions from amino acids as precursor for functional ionic liquids Chemical communications (Cambridge, England)
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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