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1643-19-2

Basic Information
CAS No.: 1643-19-2
Name: 1-Butanaminium,N,N,N-tributyl-, bromide (1:1)
Molecular Structure:
Molecular Structure of 1643-19-2 (1-Butanaminium,N,N,N-tributyl-, bromide (1:1))
Formula: C16H36BrN
Molecular Weight: 322.38
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:
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;

C77H98N4O7*C16H36N(1+)*Br(1-)*2Cl(1-)*2HO(1-)*4H(1+)

A

1643-19-2

tetrabutylammomium bromide

B

C77H98N4O7*2ClH*2H2O

Conditions
ConditionsYield
In dimethylsulfoxide-d6 at 24.85℃; Equilibrium constant;
3419-99-6

tetrabutylammonium diiodobromide

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
In chloroform Equilibrium constant;
311-28-4

tetra-(n-butyl)ammonium iodide

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: lithium n-heptyl; petroleum ether / 25 °C
2: alcohol / 100 °C
View Scheme
32503-27-8

tetra(n-butyl)ammonium hydrogensulfate

10133-22-9

5-bromomethyl-benzo[b]thiophene

A

1643-19-2

tetrabutylammomium bromide

B

tetrabutylammonium benzo[b]thiophene-5-methanesulfonate

Conditions
ConditionsYield
With sodium hydroxide; sodium sulfite In dichloromethane; water
1112-67-0

tetrabutyl-ammonium chloride

7558-02-3

potassium bromide

A

potassium chloride

B

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
In toluene Kinetics; ion exchange between solid KBr and Bu4NCl in toluene (50-105°C);

2N(C4H9)4(1+)*Ag(1+)*2CH3CO2(1-)*ClO4(1-)={N(C4H9)4Ag(CH3CO2)2}{N(C4H9)4ClO4}

A

1643-19-2

tetrabutylammomium bromide

B

silver perchlorate

Conditions
ConditionsYield
In 1,2-dimethoxyethane dissociation in soln., determination of equilibrium constant;;
In tetrahydrofuran dissociation in soln., determination of equilibrium constant;;
116882-28-1

carbonato{2,2'-bipyridyl}{1,2-bis(diphenylphosphino)ethano}osmium(II)

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
With hydrogen bromide In acetone>99

ethyl 6-diethylamino-2-benzo[b]furancarboxylate

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
With sodium hydroxide In methanol; water for 0.416667h; Microwave irradiation;
1186217-10-6

Br(1-)*C16H36N(1+)*C72H72N4O9

A

1186216-97-6

C72H72N4O9

B

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
In dimethylsulfoxide-d6; [D3]acetonitrile at 24.84℃; Equilibrium constant;
1112-67-0

tetrabutyl-ammonium chloride

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: (Cy3P)2Pd(Ph)(OH); water / tetrahydrofuran / 20 °C / Inert atmosphere; Sealed vial
2: (Cy3P)2Pd(Ph)Br; water / tetrahydrofuran / 20 °C / Inert atmosphere; Sealed vial
View Scheme
2052-49-5

tetra(n-butyl)ammonium hydroxide

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
With (Cy3P)2Pd(Ph)Br; water In tetrahydrofuran at 20℃; Equilibrium constant; Inert atmosphere; Sealed vial;
100-39-0

benzyl bromide

65801-07-2, 65801-28-7

tetra-n-butylammonium phenol-phenolate

A

946-80-5

(benzyloxy)benzene

B

1643-19-2

tetrabutylammomium bromide

C

108-95-2

phenol

Conditions
ConditionsYield
In acetonitrile at 20℃;

C16H36N(1+)*Br(1-)*C4H10O2

A

75-91-2

tert.-butylhydroperoxide

B

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
In [D3]acetonitrile at 24.84℃; Equilibrium constant;

[CuII(TPEN')Br][Br]

35895-70-6

tetrabutylammonium trifluoromethylsulfonate

[CuII(TPEN)][OTf]2

B

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
In acetone Equilibrium constant; Solvent;
109-65-9

1-bromo-butane

121-44-8

triethylamine

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
In water at 90℃; for 12h; Autoclave; Green chemistry;
35895-70-6

tetrabutylammonium trifluoromethylsulfonate

Dibenziodoliumbromid

A

189999-35-7

[1,1'-biphenyl]-2,2'-iodonium trifluoromethanesulfonate

B

1643-19-2

tetrabutylammomium bromide

Conditions
ConditionsYield
In acetonitrile at 20℃; Equilibrium constant; Inert atmosphere;
1643-19-2

tetrabutylammomium bromide

148305-65-1, 148305-68-4, 148305-70-8

tetra-n-butyl-ammonium dihydrogentrifluoride

Conditions
ConditionsYield
With potassium hydrogen bifluoride In dichloromethane for 0.5h; Ambient temperature;100%
1643-19-2

tetrabutylammomium bromide

tetrabutylammonium bromite

Conditions
ConditionsYield
With potassium bromide In water at 40 - 50℃; for 0.433333h; electrolysis;100%
1643-19-2

tetrabutylammomium bromide

459425-69-5

5',N3-bis(tert-butoxycarbonyl)-2'-deoxy-3'-α-(isobutylmethylenesulfonate)uridine

5',N3-bis(tert-butoxycarbonyl)-2'-deoxy-3'-α-(methylenesulfonate)uridine tetrabutylammonium salt

Conditions
ConditionsYield
In acetone at 50℃; for 18h;100%

2-oxo-3-tert-butoxycarbonylamino-5-(3-methyl-2-butenoyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine

1643-19-2

tetrabutylammomium bromide

51012-65-8

2-bromo-1-o-tolylethanone

209222-51-5

1-(2-toluoylmethyl)-2-oxo-3-tert-butoxycarbonylamino-5-(3-methyl-2-butenoyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine

Conditions
ConditionsYield
With sodium hydroxide In toluene100%
114594-66-0

(tetramethylammonium)12(H4P4W30Nb6O123)*16H2O

1643-19-2

tetrabutylammomium bromide

114594-65-9

(tetrabutylammonium)12(H4P4W30Nb6O123)

Conditions
ConditionsYield
In water To an aq. soln. of (Me4N)12H4P4W30Nb6O123*16H2O (pH 4.6) is added an aq. soln. of tetrabutylammonium bromide.; The ppt. is collected and washed with water, drying at 60°C for 12 h, elem. anal.;100%
In water dissolving of heteropoly-salt in H2O (90°C, pH = 4.6), colling to room temp., addn. of Bu4NBr in single portion (pptn.); collecting, washing (H2O), drying (60°C, overnight); elem. anal.;47-56
1643-19-2

tetrabutylammomium bromide

70197-13-6

methyltrioxorhenium(VII)

{bis(tetra(n-butyl)ammonium)}{(dibromo)methyltrioxorhenate(VII)}

Conditions
ConditionsYield
In diethyl ether addn. of NBu4Br to a soln. of MeReO3 at room temp.; after 10 min solvent removed, washed the residue with ether, drying in vac.; elem. anal.;100%

manganese(II) chloride hexahydrate

chromium(III) chloride * 3H2O

1643-19-2

tetrabutylammomium bromide

17148-97-9, 20267-56-5

potassium 1,2-dithiooxalate

tetra-n-butylammonium [CoCr(dithiooxalato)3]

Conditions
ConditionsYield
In water K-salt in water was added to CrCl3*6H2O in water, the soln. was heated for 30 min at 60°C, chloride was added, the soln. was heated at 80°C for 20 min, ammonium salt was added, the soln. was maintained at 80°C, cooled; filtered, washed with water, methanol, diethyl ether; elem. anal.;100%

nickel(II) dichloride hydrate

chromium(III) chloride * 3H2O

1643-19-2

tetrabutylammomium bromide

17148-97-9, 20267-56-5

potassium 1,2-dithiooxalate

tetra-n-butylammonium [NiCr(dithiooxalato)3]

Conditions
ConditionsYield
In water K-salt in water was added to CrCl3*6H2O in water, the soln. was heated for 30 min at 60°C, chloride was added, the soln. was heated at 80°C for 20 min, ammonium salt was added, the soln. was maintained at 80°C, cooled; filtered, washed with water, methanol, diethyl ether; elem. anal.;100%

cobalt(II) chloride hydrate

chromium(III) chloride * 3H2O

1643-19-2

tetrabutylammomium bromide

17148-97-9, 20267-56-5

potassium 1,2-dithiooxalate

tetra-n-butylammonium [CoCr(dithiooxalato)3]

Conditions
ConditionsYield
In water K-salt in water was added to CrCl3*6H2O in water, the soln. was heated for 30 min at 60°C, chloride was added, the soln. was heated at 80°C for 20 min, ammonium salt was added, the soln. was maintained at 80°C, cooled; filtered, washed with water, methanol, diethyl ether; elem. anal.;100%

iron(II) chloride hydrate

chromium(III) chloride * 3H2O

1643-19-2

tetrabutylammomium bromide

17148-97-9, 20267-56-5

potassium 1,2-dithiooxalate

tetra-n-butylammonium [FeCr(dithiooxalato)3]

Conditions
ConditionsYield
In water K-salt in water was added to CrCl3*6H2O in water, the soln. was heated for 30 min at 60°C, chloride was added, the soln. was heated at 80°C for 20 min, ammonium salt was added, the soln. was maintained at 80°C, cooled; filtered, washed with water, methanol, diethyl ether; elem. anal.;100%
71870-09-2

(tetrahydrofuran)(carbonyl)phthalocyaninato(2-)osmium(II)

1643-19-2

tetrabutylammomium bromide

186336-62-9

N(C4H9)4(1+)*[Os(CO)(Br)(C6H4C2N2)4](1-)=[N(C4H9)4][Os(CO)Br(C6H4C2N2)4]

Conditions
ConditionsYield
In tetrahydrofuran 1 h, 293+/-2 K; addn. of n-pentane, washing (H2O), drying (vac.); elem. anal.;100%

di(aqua)phthalocyaninato(2-)chromium(III) iodide *3H2O

1643-19-2

tetrabutylammomium bromide

N(C4H9)4(1+)*[CrBr2(C6H4N2C2)4](1-)*H2O=[N(C4H9)4][CrBr2(C6H4N2C2)4]*H2O

Conditions
ConditionsYield
In acetone refluxing (5 min), pptn.; centrifugation, washing (acetone/Et2O 1/3), drying (vac., over KOH); elem. anal.;100%
616-42-2

dimethylsulfite

1643-19-2

tetrabutylammomium bromide

65411-49-6

tetrabutylammonium methanesulfonate

Conditions
ConditionsYield
at 110 - 115℃; under 750.075 - 1125.11 Torr; for 96h; Product distribution / selectivity;100%
1643-19-2

tetrabutylammomium bromide

82816-20-4

silver salt of 2,4-dinitrophenol

3002-49-1

tetrabutylammonium 2,4-dinitrophenolate

Conditions
ConditionsYield
In ethanol at 20℃; Inert atmosphere; Darkness;100%

bis(phthalocyaninato)terbium(III)tetrabutylammonium

1643-19-2

tetrabutylammomium bromide

[Pc2Tb](-)[TBA](+)*9[TBA]Br

[Pc2Tb](-)[TBA](+)*9[TBA]Br

Conditions
ConditionsYield
In methanol; water at 20℃; for 0.166667h; Sonication;100%

bis(phthalocyaninato)terbium(III)tetrabutylammonium

1643-19-2

tetrabutylammomium bromide

[Pc2Tb](-)[TBA](+)*143[TBA]Br

Conditions
ConditionsYield
In methanol; water; acetonitrile at 20℃; for 0.166667h; Sonication;100%

C36H16F24O4Si2(2-)*2Li(1+)

1643-19-2

tetrabutylammomium bromide

2C16H36N(1+)*C36H16F24O4Si2(2-)

Conditions
ConditionsYield
In water; acetone at 20℃;100%
1234510-08-7

potassium dithizonate

1643-19-2

tetrabutylammomium bromide

C13H11N4S(1-)*C16H36N(1+)

Conditions
ConditionsYield
In acetone for 1h;100%

sodium tetrakis(pentafluorophenyl)borate-dimethoxyethane complex

1643-19-2

tetrabutylammomium bromide

136710-93-5

tetra-n-butylammonium tetrakis(pentafluorophenyl)borate

Conditions
ConditionsYield
In water at 20℃;100%
In water at 20 - 140℃; Inert atmosphere;100%
7647-01-0

hydrogenchloride

closo-Cs2[B8H8]

1643-19-2

tetrabutylammomium bromide

closo-[tetrabutylammonium][B8H9] [N(C4H9)4][B8H9], tetragonal

Conditions
ConditionsYield
In water N(C4H9)4Br in H2O added to a soln. of Cs salt, concd. HCl added; sepd., washed (H2O), dried (vac.);100%

cesium ethyl N-(trifluoroacetyl)-O-{4-[undecahydro-closo-dodecaboratooxy]butyl}-L-tyrosinate

1643-19-2

tetrabutylammomium bromide

tetrabutylammonium 2-(4-[4-((S)-2-amino-2-carboxyethyl)phenoxy]butoxy)undecahydro-closo-dodecaborate

Conditions
ConditionsYield
Stage #1: cesium ethyl N-(trifluoroacetyl)-O-{4-[undecahydro-closo-dodecaboratooxy]butyl}-L-tyrosinate With hydrogenchloride In water for 16h; Reflux;
Stage #2: tetrabutylammomium bromide In water
100%
7647-01-0

hydrogenchloride

Cl14W6(2-)*3H2O*2H7O3(1+)

1643-19-2

tetrabutylammomium bromide

84648-02-2

(Bu4N)2W6Cl8(i)Cl6(a)

Conditions
ConditionsYield
In water-d2100%
75-09-2

dichloromethane

1200206-42-3

[Cu(1,3-bis-(3,5-dimethylpyrazol-1-ylmethyl)-2-phenyl-2,3-dihydro-1H-perimidine)]ClO4

1643-19-2

tetrabutylammomium bromide

C29H30BrCuN6*CH2Cl2

Conditions
ConditionsYield
at 20℃; for 0.333333h; Inert atmosphere;100%

bis(dithiobenzil)nickel

1643-19-2

tetrabutylammomium bromide

C28H20NiS4(2-)*C16H36N(1+)

Conditions
ConditionsYield
Stage #1: bis(dithiobenzil)nickel With sodium tetrahydroborate In methanol; dichloromethane for 0.166667h;
Stage #2: tetrabutylammomium bromide In methanol; dichloromethane for 0.166667h;
100%

[Ni{S2C2(Ph)(Ph-p-OCH3)}2]

1643-19-2

tetrabutylammomium bromide

C30H24NiO2S4(2-)*C16H36N(1+)

Conditions
ConditionsYield
Stage #1: [Ni{S2C2(Ph)(Ph-p-OCH3)}2] With sodium tetrahydroborate In methanol; dichloromethane for 0.166667h;
Stage #2: tetrabutylammomium bromide In methanol; dichloromethane for 0.166667h;
100%

Ni((CH3OC6H4)2C2S2)2

1643-19-2

tetrabutylammomium bromide

C32H28NiO4S4(2-)*C16H36N(1+)

Conditions
ConditionsYield
Stage #1: Ni((CH3OC6H4)2C2S2)2 With sodium tetrahydroborate In methanol; dichloromethane for 0.166667h;
Stage #2: tetrabutylammomium bromide In methanol; dichloromethane for 0.166667h;
100%

tetrabutylammonium-[2-(2-ammonium-ethoxy)-ethoxy]-undecahydro-closo-dodecaborate

1643-19-2

tetrabutylammomium bromide

2- (2-aminoethoxy)ethoxyundecahydrocrossodedecaborate ditetrabutylammonium salt

Conditions
ConditionsYield
With potassium hydroxide In dichloromethane; water for 4h;100%
615-94-1

2,5-dihydroxy-1,4-benzoquinone

1643-19-2

tetrabutylammomium bromide

6018-89-9

nickel(II) acetate tetrahydrate

1.5C6H2O4(2-)*Ni(2+)*C16H36N(1+)

Conditions
ConditionsYield
In water at 100℃; for 0.75h; Inert atmosphere;100%
1643-19-2

tetrabutylammomium bromide

C24H9N2O10S3(3-)*3Na(1+)

C24H9N2O10S3(3-)*3C16H36N(1+)

Conditions
ConditionsYield
In water at 20℃; for 5h;100%
288-32-4

1H-imidazole

1643-19-2

tetrabutylammomium bromide

C16H36N(1+)*Br(1-)*C3H4N2

Conditions
ConditionsYield
at 100℃; for 0.5h;100%
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    Tetrabutylammonium bromide

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    99% Tetrabutylammonium bromide;in stock

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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  • tetrabutylammonium bromide

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    1643-19-2

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  • Casno:

    1643-19-2

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  • Casno:

    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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    1643-19-2

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  • Casno:

    1643-19-2

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    1643-19-2

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    Product Description Product website: http://www.finerchem.com Product Name Tetrabutylammonium bromide CAS No. 1643-19-2;10549-76-5

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    1643-19-2

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    FOB Price:  USD $ 8.0-10.0/Kilogram

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  • Tetrabutylammonium bromide

  • Casno:

    1643-19-2

    Tetrabutylammonium bromide

    Min.Order: 1 Gram

    FOB Price:  USD $ 1.0-2.0/Gram

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  • Tetrabutylammonium bromide

  • Casno:

    1643-19-2

    Tetrabutylammonium bromide

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0/Gram

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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-];