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| CAS No.: | 1643-19-2 |
|---|---|
| Name: | Tetrabutylammonium bromide |
| Molecular Structure: | |
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| 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: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 26-36-37/39 |
| PSA: | 0.00000 |
| LogP: | 2.00760 |
| Conditions | Yield |
|---|---|
| In acetonitrile at 82℃; for 33h; Solvent; Temperature; Menshutkin Reaction; | 98.9% |
| In acetonitrile for 24h; Heating; | 80% |
| With ethanol |
| Conditions | Yield |
|---|---|
| With 1-bromo-butane In acetonitrile at 80℃; under 7500.75 Torr; for 2h; Temperature; Inert atmosphere; | 91% |
3-bromo-3-methyl-2-trimethylsiloxy-1-pentene
B
tetrabutylammomium bromide
| Conditions | Yield |
|---|---|
| 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 |
3-bromo-3-methyl-2-trimethylsiloxy-1-butene
B
tetrabutylammomium bromide
| Conditions | Yield |
|---|---|
| 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 |
tetrabutylammonium perchlorate
triethylamine hydrobromide
A
tetrabutylammomium bromide
B
Triethylammonium perchlorate
| Conditions | Yield |
|---|---|
| In chloroform at 25℃; Equilibrium constant; |
tetrabuthylammonium tribromide
tetrabutylammomium bromide
| Conditions | Yield |
|---|---|
| With 4-hydroxy-TEMPO benzoate; sodium acetate In ethanol; dichloromethane for 0.5h; Ambient temperature; | 657 mg |
A
5-Nitrobenz<1,6-d>-3H-1,2-oxathiole S,S-dioxide
B
tetrabutylammomium bromide
| Conditions | Yield |
|---|---|
| In nitrobenzene Equilibrium constant; other solvent; |
| Conditions | Yield |
|---|---|
| In acetone for 48h; Heating; formation of complexes, other uni- and polydentate phosphines; |
A
tetrabutylammomium bromide
B
1-butyl-3-{3-[(3-butyl-thioureido)-methyl]-2-hydroxy-benzyl}-thiourea
| Conditions | Yield |
|---|---|
| In chloroform-d1 at 20℃; Equilibrium constant; |
| Conditions | Yield |
|---|---|
| In chloroform-d1; d(4)-methanol at 24.85℃; Equilibrium constant; |
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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-];
