Tetrabutylammonium bromide

Catalog Number

ACM1643192-3

CAS

1643-19-2

Structure

Description

Tetrabutylammonium bromide (TBAB) is a quaternary ammonium compound. It is the most widely used phase transfer catalyst. Its interfacial properties have been studied in case of hydroxide initiated reactions. This may be applied in understanding the mechanism of phase transfer reactions. TBAB is reported to decrease retention time and remove peak tailing by acting as an ion pair reagent during the chromatographic analysis of quaternary ammonium compounds. In the molten state TBAB behaves like an ionic liquid which is a promising green alternative to organic solvents in organic synthesis. Its molar heat capacity, entropy and free energy function have been determined.

Synonyms

TBAB

IUPAC Name

tetrabutylazanium;bromide;

Molecular Weight

322.37

Molecular Formula

C16H36BrN

Canonical SMILES

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

InChI

InChI=1S/C16H36N.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

JRMUNVKIHCOMHV-UHFFFAOYSA-M;

Melting Point

103 - 104°C

Purity

99%

Density

1.039 g/mL at 25°C

Solubility

water, 313.2 mg/L @ 25 °C (est)

Appearance

White to off white crystalline powder

Application

Metal Plating, Electropolishing, Metal Reprocessing, Phase transfer media, Batteries Fuel Cells, Nanomaterials, Industrial Solvents, Nuclear Fuel Red Waste, Enzymatic Catalysis, Lubricants Heat Transfer and Solar Energy Conversion.

Storage

Store at RT.

Chemical Formula

N4,4,4,4Br

Complexity

116

Covalently-Bonded Unit Count

2

EC Number

216-699-2

Exact Mass

321.203g/mol

Heavy Atom Count

18

Linear Formula

(CH3CH2CH2CH2)4N(Br)

MDL Number

MFCD00011633

Monoisotopic Mass

321.203g/mol

REAXYS Number

3570983

Refractive Index

n20/D 1.422

Stability

Stable. Incompatible with strong oxidizing agents. Protect from moisture.

Topological Polar Surface Area

0A^2

• Catalog Number: ACM1643192-3
• CAS: 1643-19-2
• Description: Tetrabutylammonium bromide (TBAB) is a quaternary ammonium compound. It is the most widely used phase transfer catalyst. Its interfacial properties have been studied in case of hydroxide initiated reactions. This may be applied in understanding the mechanism of phase transfer reactions. TBAB is reported to decrease retention time and remove peak tailing by acting as an ion pair reagent during the chromatographic analysis of quaternary ammonium compounds. In the molten state TBAB behaves like an ionic liquid which is a promising green alternative to organic solvents in organic synthesis. Its molar heat capacity, entropy and free energy function have been determined.
• Synonyms: TBAB
• IUPAC Name: tetrabutylazanium;bromide
• Molecular Weight: 322.37
• Molecular Formula: C16H36BrN
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
• InChI: InChI=1S/C16H36N.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: JRMUNVKIHCOMHV-UHFFFAOYSA-M
• Melting Point: 103 - 104°C
• Purity: 99%
• Density: 1.039 g/mL at 25°C
• Solubility: water, 313.2 mg/L @ 25 °C (est)
• Appearance: White to off white crystalline powder
• Application: Metal Plating, Electropolishing, Metal Reprocessing, Phase transfer media, Batteries Fuel Cells, Nanomaterials, Industrial Solvents, Nuclear Fuel Red Waste, Enzymatic Catalysis, Lubricants Heat Transfer and Solar Energy Conversion.
• Storage: Store at RT.
• Chemical Formula: N4,4,4,4Br
• Complexity: 116
• Covalently-Bonded Unit Count: 2
• EC Number: 216-699-2
• Exact Mass: 321.203g/mol
• Heavy Atom Count: 18
• Linear Formula: (CH3CH2CH2CH2)4N(Br)
• MDL Number: MFCD00011633
• Monoisotopic Mass: 321.203g/mol
• REAXYS Number: 3570983
• Refractive Index: n20/D 1.422
• Stability: Stable. Incompatible with strong oxidizing agents. Protect from moisture.
• Topological Polar Surface Area: 0A^2