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Cas Database |
| Name |
Tetrabutylammoniumchloride |
EINECS | 214-195-7 |
| CAS No. | 1112-67-0 | Density | 0.98 |
| PSA | 0.00000 | LogP | 2.00760 |
| Solubility | soluble in water | Melting Point |
83-86 °C |
| Formula | C16H36ClN | Boiling Point | N/A |
| Molecular Weight | 277.922 | Flash Point | >110°C |
| Transport Information | N/A | Appearance | white crystals, granules or powder |
| Safety | 26-37/39-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1-Butanaminium,N,N,N-tributyl-, chloride (9CI);Ammonium, tetrabutyl-, chloride (8CI);Tetrabutylammonium chloride (6CI);N,N,N-Tributyl-1-butanaminium chloride;TBAC 100;Tetra-n-butylammonium chloride;1-Butanaminium, N,N,N-tributyl-, chloride;1-Butanaminium, N,N,N-tributyl-, chloride (1:1);N,N,N-Tributyl-1-butanaminium chloride;N,N,N-Tributylbutan-1-aminium chloride;Tetrabutylammonium Chloride; |
Article Data | 21 |
Tetrabutylammoniumchloride Synthetic route
| Conditions | Yield |
|---|---|
| In ethanol; dichloromethane soln. of NMe4Cl in EtOH added to a soln. of (n-Bu4N)2(OsO2(CN)4) in CH2Cl2; pptd. Os complex recrystd. from CH3CN; | A 80% B n/a |
| Conditions | Yield |
|---|---|
| In ethanol; dichloromethane soln. of Me4NCl in EtOH added to a soln. of (n-Bu4N)2(Os(18)O2(CN)4) in CH2Cl2; pptd. Os complex recrystd. from CH3CN; | A 70% B n/a |
| Conditions | Yield |
|---|---|
| With Zn In tetrahydrofuran mixture of Mo-compound, Zn metal dust and trimethylphosphine was stirred at room temp. in THF under Ar for 36 h; filtn., the ppt. was treated with acetone, filtn., the filtrate was layered with hexane, crystn. after several days of standing; | A 63% B n/a |
- 76634-95-2
3-chloro-2-(trimethylsilyloxy)prop-1-ene
B
- 1112-67-0
tetrabutyl-ammonium chloride
| Conditions | Yield |
|---|---|
| In dichloromethane byproducts: CO; Stirring of mixt. at room temp. for 2 h, during this period, one molar equiv. of CO to TBAFe evolved; Evapn. in vac., chromy. (silica gel, pentane).; | A 57% B n/a |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol; water | 57% |
| With [(Cy3P)2Pd(Cl)Ph]; water In tetrahydrofuran at 20℃; Equilibrium constant; Inert atmosphere; Sealed vial; |
| Conditions | Yield |
|---|---|
| In ethanol; dichloromethane soln. of Me4NCl in EtOH added to a soln. of (n-Bu4N)2(OsO2((13)CN)4) in CH2Cl2; pptd. Os complex isolated; | A 50% B n/a |
- 111697-70-2
1,3-dichloro-2-trimethylsiloxy-1-propene
B
- 1112-67-0
tetrabutyl-ammonium chloride
| Conditions | Yield |
|---|---|
| In dichloromethane byproducts: CO; Stirring of mixt. at room temp. for 2 h.; Evapn. in vac., chromy. (silica gel, pentane).; | A 37% B n/a |
- 1923-70-2
tetrabutylammonium perchlorate
- 554-68-7
triethylamine hydrochloride
A
- 1112-67-0
tetrabutyl-ammonium chloride
B
- 14999-75-8
Triethylammonium perchlorate
| Conditions | Yield |
|---|---|
| In chloroform at 25℃; Equilibrium constant; |
| Conditions | Yield |
|---|---|
| With octachlorocyclotetraphosphazene In chloroform at 24.9℃; Rate constant; var. solvents; |
| Conditions | Yield |
|---|---|
| With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine In chloroform at 24.9℃; Rate constant; var. solvents; |
Tetrabutylammoniumchloride Specification
The 1-Butanaminium, N,N,N-tributyl-, chloride (1:1), with the CAS registry number 1112-67-0 and EINECS registry number 214-195-7, has the systematic name of N,N,N-tributylbutan-1-aminium chloride. And the molecular formula of this chemical is C16H36ClN. It is a kind of light sensitive white crystals, granules or powder, and should be stored under Nitrogen. In addition, it is used as Ion-pair chromatography reagent and phase transfer catalyst.
The physical properties of 1-Butanaminium, N,N,N-tributyl-, chloride (1:1) are as following: (1)ACD/LogP: -1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.72; (4)ACD/LogD (pH 7.4): -1.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.78; (8)ACD/KOC (pH 7.4): 2.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 0 Å2.
Uses of 1-Butanaminium, N,N,N-tributyl-, chloride (1:1): It can react with 4-phosphono-but-2-enoic acid to produce phosphono crotonic acid tri(tetrabutylammonium) salt. This reaction will need solvent diethyl ether and H2O, and PH 7. And the yield is about 100%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].CCCC[N+](CCCC)(CCCC)CCCC
(2)InChI: InChI=1/C16H36N.ClH/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
(3)InChIKey: NHGXDBSUJJNIRV-REWHXWOFAB
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