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1643-19-2

Basic Information
CAS No.: 1643-19-2
Name: 1-Butanaminium,N,N,N-tributyl-, bromide (1:1)
Article Data: 41
Cas Database
Molecular Structure:
Molecular Structure of 1643-19-2 (1-Butanaminium,N,N,N-tributyl-, bromide (1:1))
Formula: C16H36BrN
Molecular Weight: 322.373
Synonyms: Tetrabutyl Ammonium Bromide;Tetrabutylammonium bromide(TBAB);1-Butanaminium,N,N,N-tributyl-, bromide (9CI);Ammonium, tetrabutyl-, bromide (8CI);Tetrabutylammonium bromide (6CI,7CI);AP 6G;Actiron 43-65;Aliquat 100;Mastermix MB 4988;TBAB;Tetra-n-butylammonium bromide;Tetrabutylammonium bromide;
EINECS: 216-699-2
Density: 1.039 g/mL at 25 °C
Melting Point: 102-106 °C(lit.)
Boiling Point: 102°C
Flash Point: 100℃
Solubility: water: 0.1 g/mL, clear, colorless
Appearance: white crystals or powder
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 36/37/38-22
Safety: 26-36-37/39
Transport Information: N/A
PSA: 0.00000
LogP: 2.00760
Synthetic route
109-65-9

1-bromo-butane

102-82-9

tributyl-amine

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
In acetonitrile at 82℃; for 33h; Solvent; Temperature; Menshutkin Reaction;98.9%
In acetonitrile for 24h; Heating;80%
With ethanol
102-82-9

tributyl-amine

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
With 1-bromo-butane In acetonitrile at 80℃; under 7500.75 Torr; for 2h; Temperature; Inert atmosphere;91%
138174-05-7

3-bromo-3-methyl-2-trimethylsiloxy-1-pentene

tetrabutylammonium tricarbonylnitrosylferrate

A

(CH2C(OSi(CH3)3)C(CH3)C2H5)Fe(CO)2NO

B

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
In dichloromethane byproducts: CO; Stirring of mixt. at room temp. for 2 h.; Evapn. in vac., chromy. (silica gel, pentane).;A 72%
B n/a
69278-36-0

3-bromo-3-methyl-2-trimethylsiloxy-1-butene

tetrabutylammonium tricarbonylnitrosylferrate

A

(CH2C(OSi(CH3)3)C(CH3)2)Fe(CO)2NO

B

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
In dichloromethane byproducts: CO; Stirring of mixt. at room temp. for 2 h.; Evapn. in vac., chromy. (silica gel, pentane).;A 68%
B n/a
1923-70-2

tetrabutylammonium perchlorate

636-70-4

triethylamine hydrobromide

A

1643-19-2

tetrabutylammomium bromide

B

14999-75-8

Triethylammonium perchlorate

Conditions
ConditionsYield
In chloroform at 25℃; Equilibrium constant;
38932-80-8

tetrabuthylammonium tribromide

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
With 4-hydroxy-TEMPO benzoate; sodium acetate In ethanol; dichloromethane for 0.5h; Ambient temperature;657 mg

tetra(n-butyl)ammonium 2-hydroxy-5-nitrotoluene-α-sulphonyl bromide

A

14618-10-1

5-Nitrobenz<1,6-d>-3H-1,2-oxathiole S,S-dioxide

B

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
In nitrobenzene Equilibrium constant; other solvent;

C16H36N(1+)*Br5Mo2(1-)

554-70-1

triethylphosphine

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
In acetone for 48h; Heating; formation of complexes, other uni- and polydentate phosphines;

C18H30N4OS2*C16H36N(1+)*Br(1-)

A

1643-19-2

tetrabutylammomium bromide

B

321898-65-1

1-butyl-3-{3-[(3-butyl-thioureido)-methyl]-2-hydroxy-benzyl}-thiourea

Conditions
ConditionsYield
In chloroform-d1 at 20℃; Equilibrium constant;

C77H98N4O7*C16H36N(1+)*Br(1-)*4Cl(1-)*4H(1+)

A

1643-19-2

tetrabutylammomium bromide

B

C77H98N4O7*4ClH

Conditions
ConditionsYield
In chloroform-d1; d(4)-methanol at 24.85℃; Equilibrium constant;
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  • Tetrabutylammonium bromide      CAS: 1643-19-2

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    Tetrabutylammonium bromide CAS: 1643-19-2

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    CAS No.: 1643-19-2 Formula: C16H36BrN Molecular Weight: 322.37 Appearance: White to off white crystalline powder Density: 1.039 g/mL a

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  • Casno:

    1643-19-2

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    1643-19-2

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  • Tetrabutylammonium bromide

  • Casno:

    1643-19-2

    Tetrabutylammonium bromide

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Specification

Tetrabutylammonium bromide, with the cas register number 1643-19-2, is also called TBAB. Tetrabutylammonium bromide(TBAB) is a quaternary ammonium salt with a bromide counterion commonly used as a phase transfer catalyst. Tetrabutylammonium bromide is an ion-pair reagent for the synthesis of Bacampicillin and sultamicillin. It could stable under normal temperatures and pressures. Hygroscopic: absorbs moisture or water from the air. It should avoid the condition like incompatible materials, dust generation, excess heat, exposure to moist air or water. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide. However, its hazardous polymerization will not occur.

Physical properties about Tetrabutylammonium bromide are: (1)ACD/LogP: -1.715; (2)ACD/LogD (pH 5.5): -1.72; (3)ACD/LogD (pH 7.4): -1.72; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 2.78; (7)ACD/KOC (pH 7.4): 2.78; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 12

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing;
3. Wear suitable gloves and eye/face protection;

You can still convert the following datas into molecular structure:
(1)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;
(2)InChIKey=JRMUNVKIHCOMHV-UHFFFAOYSA-M;
(3)Smiles[N+](CCCC)(CCCC)(CCCC)CCCC.[BrH-];