CAS No.1112-67-0,Tetrabutyl ammonium chloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1112-67-0
Name:	Tetrabutyl ammonium chloride
Article Data:	21

Formula:	C₁₆H₃₆ClN
Molecular Weight:	277.922
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;
EINECS:	214-195-7
Density:	0.98
Melting Point:	83-86 °C
Flash Point:	>110°C
Solubility:	soluble in water
Appearance:	white crystals, granules or powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39-36
PSA:	0.00000
LogP:	2.00760

Synthetic route

: bis(tetra-n-butylammonium) trans-dioxotetracyanoosmate(VI)

: 75-57-0
tetramethlyammonium chloride

: tetramethyl-ammonium trans-dioxotetracyanoosmate(VI)

B: 1112-67-0
tetrabutyl-ammonium chloride

Conditions

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

...Expand

: tetrabutylammonium trans-(18)O-dioxotetracyanoosmate(VI)

: 75-57-0
tetramethlyammonium chloride

: tetramethyl-ammonium trans-(18)O-dioxotetracyanoosmate(VI)

B: 1112-67-0
tetrabutyl-ammonium chloride

Conditions

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

...Expand

: {N(C4H9)4}(1+)*{Mo3OCl6(OCOCH3)3}(1-)*CH3COCH3={N(C4H9)4}{Mo3OCl6(OCOCH3)3}*CH3COCH3

: 594-09-2
trimethylphosphane

A: {Mo3OCl4(OCOCH3)3(P(CH3)3)2}

B: 1112-67-0
tetrabutyl-ammonium chloride

Conditions

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

...Expand

: 76634-95-2
3-chloro-2-(trimethylsilyloxy)prop-1-ene

: tetrabutylammonium tricarbonylnitrosylferrate

A: (η3-2-trimethylsiloxyallyl)(carbonyl)2nitrosyliron

B: 1112-67-0
tetrabutyl-ammonium chloride

Conditions

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

...Expand

: 2052-49-5
tetra(n-butyl)ammonium hydroxide

: 1112-67-0
tetrabutyl-ammonium chloride

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water	57%
With [(Cy3P)2Pd(Cl)Ph]; water In tetrahydrofuran at 20℃; Equilibrium constant; Inert atmosphere; Sealed vial;

: tetrabutylammonium trans-dioxo-(13C)-tetracyanoosmate(VI)

: 75-57-0
tetramethlyammonium chloride

: tetramethylammonium trans-dioxo-(13)C-tetracyanoosmate(VI)

B: 1112-67-0
tetrabutyl-ammonium chloride

Conditions

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

...Expand

: 111697-70-2
1,3-dichloro-2-trimethylsiloxy-1-propene

: tetrabutylammonium tricarbonylnitrosylferrate

A: (CHClC(OSi(CH3)3)CH2)Fe(CO)2NO

B: 1112-67-0
tetrabutyl-ammonium chloride

Conditions

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

...Expand

: 1923-70-2
tetrabutylammonium perchlorate

: 554-68-7
triethylamine hydrochloride

A: 1112-67-0
tetrabutyl-ammonium chloride

B: 14999-75-8
Triethylammonium perchlorate

Conditions

Conditions	Yield
In chloroform at 25℃; Equilibrium constant;

...Expand

: 3002-48-0
tetra-n-butylammonium p-nitrophenoxide

A: 1112-67-0
tetrabutyl-ammonium chloride

B: 1,2,3,4,5,6,8-Heptachloro-7-(4-nitro-phenoxy)-[1,3,5,7,2,4,6,8]tetrazatetraphosphocane

Conditions

Conditions	Yield
With octachlorocyclotetraphosphazene In chloroform at 24.9℃; Rate constant; var. solvents;

: 3002-49-1
tetrabutylammonium 2,4-dinitrophenolate

A: 1112-67-0
tetrabutyl-ammonium chloride

B: 1,2,3,4,6-Pentachloro-5-(2,4-dinitro-phenoxy)-[1,3,5,2,4,6]triazatriphosphinane

Conditions

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;

Raw Materials

1923-70-2

2052-49-5

554-68-7

Downstream Products

Total:136 Page 1 of 4 1 2 3 4 Next>>

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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%.

1-Butanaminium, N,N,N-tributyl-, chloride (1:1) can react with 4-phosphono-but-2-enoic acid to produce phosphono crotonic acid tri(tetrabutylammonium) salt

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