Benzyltriethylammonium chloride supplier

Name
Benzyltriethylammonium chloride
EINECS 200-270-1
CAS No. 56-37-1
Article Data25
CAS DataBase
Density 1.08 g/mL at 25 °C
Solubility 700 g/L (20 °C) in water
Melting Point 239 °C (dec.)(lit.)
Formula C₁₃H₂₂ClN
Boiling Point 366.11°C (rough estimate)
Molecular Weight 227.777
Flash Point > 100 °C
Transport Information UN 2811 6.1/PG 3
Appearance white to light yellow crystallize powder
Safety 26-36-37/39
Risk Codes 36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn, Xi
Synonyms Ammonium,benzyltriethyl-, chloride (8CI);Benzenemethanaminium, N,N,N-triethyl-,chloride (9CI);Benzyltriethylammonium chloride (6CI);BAC-TE;N,N,N-Triethyl-N-benzylammonium chloride;TEBA;TEBAC;Triethylbenzylammoniumchloride;Benzenemethanaminium, N,N,N-triethyl-, chloride;
PSA 0.00000
LogP 0.06710

Synthetic route

: 100-44-7
benzyl chloride

: 121-44-8
triethylamine

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

Conditions

Conditions	Yield
at 20℃;	100%
In acetonitrile for 1h; Reflux;	95%
	75%

: 3459-92-5
DBC

: 554-68-7
triethylamine hydrochloride

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

Conditions

Conditions	Yield
With 1-ethyl-3-methylimidazolium bromide at 169.84℃; for 8h;	99%

: 100-44-7
benzyl chloride

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

Conditions

Conditions	Yield
In polydimethylsiloxane	76.3%

: 100-44-7
benzyl chloride

: 121-44-8
triethylamine

A: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

B: 103-29-7
1,1'-(1,2-ethanediyl)bisbenzene

Conditions

Conditions	Yield
2 In acetonitrile for 24h; Product distribution; Irradiation; 1-bromopentane as other substrate; various photocatalysts;	A 70% B 22%

...Expand

: 138554-42-4
triethylbenzylammonium 2,4-dinitrophenolate

A: 56-37-1
N-benzyl-N,N,N-triethylammonium 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;

: 138554-42-4
triethylbenzylammonium 2,4-dinitrophenolate

A: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

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

Conditions

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

: 138554-42-4
triethylbenzylammonium 2,4-dinitrophenolate

A: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

B: 157033-41-5
2,2,4,4,6-Pentachloro-6-(2,4-dinitro-phenoxy)-2λ5,4λ5,6λ5-[1,3,5,2,4,6]triazatriphosphinine

Conditions

Conditions	Yield
With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine; 4-nitro-phenol; buffer pH 9.18 In chlorobenzene at 24.9℃; Rate constant; Equilibrium constant; Mechanism; other proton donors, var. pH;

: 138554-40-2
4-Nitro-phenolatebenzyl-triethyl-ammonium;

A: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

B: 1,2,3,4,6-Pentachloro-5-(4-nitro-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; Mechanism; var. solvents, other phenols and cyclophosphazenes;

: triethylbenzylammonium diiodochloride

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

Conditions

Conditions	Yield
In chloroform Equilibrium constant;

: 1133239-24-3
dichloro(bis(2-isopropylamino-4-methoxyphenyl)amine(-3H))tantalum(V)

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: C20H26Cl3N3O2Ta(1-)*C13H22N(1+)

Conditions

Conditions	Yield
In tetrahydrofuran for 12h; Inert atmosphere;	99%

: C18H20Cl2F2N3Ta*0.5C7H8

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: C18H20Cl3F2N3Ta(1-)*C13H22N(1+)

Conditions

Conditions	Yield
In tetrahydrofuran for 12h; Inert atmosphere;	99%

: C18H22Cl2N3Ta

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: C18H22Cl3N3Ta(1-)*C13H22N(1+)

Conditions

Conditions	Yield
In tetrahydrofuran for 12h; Inert atmosphere;	99%

: C20H26Cl2N3Ta

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: C20H26Cl3N3Ta(1-)*C13H22N(1+)

Conditions

Conditions	Yield
In tetrahydrofuran for 12h; Inert atmosphere;	99%

: C26H38Cl2N3Ta

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: C26H38Cl3N3Ta(1-)*C13H22N(1+)

Conditions

Conditions	Yield
In tetrahydrofuran for 12h; Inert atmosphere;	99%

: 2424-92-2
octadecane-1,18-dicarboxylic acid

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 106-89-8
epichlorohydrin

A: octadecane-1,18-dicarboxylic acid glycidyl ester

B: octadecane-1,18-dicarboxylic acid diglycidyl ester

Conditions

Conditions	Yield
With sodium hydroxide	A 98.4% B n/a

...Expand

: 91543-32-7
tris(pentafluoroethyl)difluorophosphorane

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 1042169-47-0
benzyltriethylammonium tris(pentafluoroethyl)difluorochlorophosphate

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 1h;	98.2%

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: benzyltriethylammonium borohydride

Conditions

Conditions	Yield
With sodium tetrahydroborate In methanol at 20℃; for 1.5h;	98%

: 7697-46-3
phenyl(1H-pyrrol-2-yl)methanone

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: (1-benzyl-1H-pyrrol-2-yl)(phenyl)methanone

Conditions

Conditions	Yield
With sodium hydroxide In water; toluene for 2h; Reflux; chemoselective reaction;	98%

: acetylacetonatodicarbonylrhodium(l)

: 603-32-7
triphenyl-arsane

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 75802-04-9
3(C6H5CH2N(C2H5)3)(1+)*(Rh10As(CO)22)(3-)*OC4H8=(C6H5CH2N(C2H5)3)3(Rh10As(CO)22)*OC4H8

Conditions

Conditions	Yield
With cesium benzoate trihydrate; cesium borohydride; carbon monoxide In isopropyl alcohol; acetone High Pressure; to Rh(CO)2acac, PhCOOCs*3H2O, AsPh3 and CsBH4 mixed in tetraglyme and soln. stirred under 6000 psi CO-H2 at 150°C for 2 h, mixt. filtered, toluene added, oil dissolved in acetone, (PhCH2NEt3)Cl in 2-propanoladded; ppt. filtered, washed with 2-propanol and vac.-dried; elem. anal.;	97.8%

...Expand

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: benzyltriethylammonium chloride aluminium chloride

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 5 - 20℃; for 12.5h; Inert atmosphere;	97%

: germanium(II) chloride dioxane

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 208348-62-3
benzyltriethylammonium trichlorogermanate(II)

Conditions

Conditions	Yield
In tetralin byproducts: dioxane; (N2); stirring (70°C, 15 min); removal of volatiles (vac., room temp., 12 h), filtration at -20°C, washing (pentane), drying (vac.); elem. anal.;	96.7%

: 75-09-2
dichloromethane

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 125627-85-2
7-O-sec-butyl-6-hydroxy-2,2-dimethyl-4-chromanone

: 125627-93-2
7-O-sec-butyl-6-methoxy-2,2-dimethyl-4-chromanone

Conditions

Conditions	Yield
In sodium hydroxide; water	96%

...Expand

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 13470-13-8
tungsten(IV) chloride

A: 215669-98-0
C6H5CH2N(C2H5)3(1+)*WCl6(1-)=C6H5CH2N(C2H5)3WCl6

B: 2C6H5CH2N(C2H5)3(1+)*W2Cl9(2-)=[C6H5CH2N(C2H5)3]2W2Cl9

Conditions

Conditions	Yield
In dichloromethane react. for several days at 25°C, filtration, washing (CH2Cl2), drying (vac.), cooling of supenatant and crystn. of WCl6-salt; elem. anal.;	A 37% B 96%

...Expand

: 1159937-12-8
3,5-bis(2-methoxyphenyl)-1H-pyrazole

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 584-08-7
potassium carbonate

: potassium hydroxide

: 1227401-55-9
bis(3,5-bis(2-methoxyphenyl)-1H-pyrazol-1-yl)methane

Conditions

Conditions	Yield
In dichloromethane for 12h; Reflux;	96%

...Expand

: 100506-76-1
[(cyclopentadienyl)Ru(η6-naphthalene)]BF4

: 119072-55-8, 7188-38-7
tert-butylisonitrile

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: C15H23ClN2Ru

Conditions

Conditions	Yield
In dichloromethane for 12h; Inert atmosphere;	96%

...Expand

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 62635-69-2
sodium di(1,1,3-trihydrotetrafluoropropyl) sulfosuccinate

: 80563-71-9
1,2-Bis-(2,2,3,3-tetrafluoro-propoxycarbonyl)-ethanesulfonatebenzyl-triethyl-ammonium;

Conditions

Conditions	Yield
In ethanol at 75 - 80℃;	95.1%
In ethanol at 78℃; for 2h;

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 141-52-6
sodium ethanolate

: 95903-96-1
triethylbenzylammonium ethanolate

Conditions

Conditions	Yield
at 5℃; for 12h;	95%
In ethanol Ambient temperature;

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 103-82-2
phenylacetic acid

Conditions

Conditions	Yield
With sodium hydroxide; Co(CO)8; methyl iodide In benzene Mechanism; Ambient temperature; other quaternaryammonium salts;	95%

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 5400-94-2
triethylbenzylammonium iodide

Conditions

Conditions	Yield
With trimethylsilyl iodide In acetonitrile for 0.5h; Heating;	95%

: 98821-58-0
closo-3-I-2,4-C2B5H6

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 28347-93-5
3-Cl-closo-2,4-C2B5H6

Conditions

Conditions	Yield
With trimethylamine In dichloromethane-d2 allowing to stand at room temp., 43d; monitoring by 11B NMR;	95%
In dichloromethane allowing to stand at room temp., 9d; monitoring by 11B NMR;	78%

: (2-methylallyl)palladium-chloride dimer

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 76096-87-2
(C2H5)3N(CH2C6H5)(1+)*PdCl2(C3H4CH3)(1-)=(C2H5)3N(CH2C6H5)[PdCl2(C3H4CH3)]

Conditions

Conditions	Yield
In dichloromethane soln. of Pd complex treated with anhydrous NEt3(CH2Ph)Cl; concd., added to excess Et2O, crystd. on stirring, recrystd. from CH2Cl2-Et2O; elem. anal.;	95%

: 75-09-2
dichloromethane

: 215669-96-8
(BnEt3N)[W2(μ-Cl)3Cl6]

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 2C6H5CH2N(C2H5)3(1+)*W2Cl10(2-)*CH2Cl2=[C6H5CH2N(C2H5)3]2W2Cl10*CH2Cl2

Conditions

Conditions	Yield
In dichloromethane at -30°C for 1 day, filtration, washing, drying; elem. anal.;	95%

...Expand

: [(C4Et4)Rh(p-xylene)]+PF6

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: C12H20ClRh

Conditions

Conditions	Yield
In dichloromethane for 24h; Inert atmosphere;	95%

: 17771-33-4
7-hydroxy-2,2-dimethyl-chroman-4-one

: 75-09-2
dichloromethane

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 20321-73-7
7-methoxy-2,2-dimethyl-4-chromanone

Conditions

Conditions	Yield
In sodium hydroxide; water	94.6%

...Expand

: 215669-98-0
C6H5CH2N(C2H5)3(1+)*WCl6(1-)=C6H5CH2N(C2H5)3WCl6

: 2C6H5CH2N(C2H5)3(1+)*W2Cl9(2-)=[C6H5CH2N(C2H5)3]2W2Cl9

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 2C6H5CH2N(C2H5)3(1+)*WCl6(2-)=[C6H5CH2N(C2H5)3]2WCl6

Conditions

Conditions	Yield
In not given	94%

...Expand

: 7719-09-7
thionyl chloride

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 13499-05-3
hafnium tetrachloride

: 7705-07-9
titanium(III) chloride

: di[triethylbenzylammonium] decachloridohafnatetitanate

Conditions

Conditions	Yield
In neat (no solvent) (Ar), HfCl4, TiCl3, (Et3NBz)Cl (1:1:2) treated dropwise under stirring with SOCl2, refluxed for 1 h, cooled to room temp., stirred for 2 h; concd.(vac.), pptd.(pentane), filtered, washed (pentane), dried (vac.) for 2 h, elem. anal.;	94%

...Expand

: 7719-09-7
thionyl chloride

: 56-37-1
N-benzyl-N,N,N-triethylammonium chloride

: 13499-05-3
hafnium tetrachloride

: di[triethylbenzylammonium] decachloridodihafnate

Conditions

Conditions	Yield
In neat (no solvent) (Ar), HfCl4 and (Et3NBz)Cl(1:1) treated dropwise under stirring with SOCl2, heated to 65°C for 1 h, cooled to room temp., stirred for 1 h; pptd.(pentane), filtered, washed (pentane), dried (vac.) overnight, elem. anal.;	94%

...Expand

Benzyltriethylammonium chloride Specification

The IUPAC name of Benzyltriethylammonium chloride is benzyl(triethyl)azanium chloride. With the CAS registry number 56-37-1, it is also named as Benzenemethanaminium, N,N,N-triethyl-, chloride. The product's categories are Pharmaceutical Intermediates; Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds; Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts, and the other registry numbers are 130517-24-7; 64333-37-5; 80904-15-0. Besides, it is white to light yellow crystallize powder, which should be stored in sealed and dry place. It is stable, but incompatible with strong oxidizing agents. In addition, its molecular formula is C₁₃H₂₂ClN and molecular weight is 227.78.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.08; (4)ACD/LogD (pH 7.4): -2.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.76; (8)ACD/KOC (pH 7.4): 1.76; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Density: 1.08 g/mL at 25 °C; (13)Flash Point: > 100 °C; (14)Melting point: 185 °C ; (15)Water Solubility: 700 g/L (20 °C); (16)EINECS: 200-270-1.

Preparation of Benzyltriethylammonium chloride: this chemical can be prepared by the reaction of Benzyl chloride with Triethylamine. This reaction needs Acetone. The yield is 68.9%.

Uses of Benzyltriethylammonium chloride: this chemical is phase transfer catalyst used in the alkylation reation. It is also used as fungicide and cationic surfactant. Additionally, it can react with 1H-Pyridine-2-thione to get 2-Benzylsulfanyl-pyridine.

This reaction needs 50percent aq. NaOH and Benzene at temperature of 80 °C for 6 hours. The yield is 70 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: [Cl-].c1ccccc1C[N+](CC)(CC)CC
(2)InChI: InChI=1/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
(3)InChIKey: HTZCNXWZYVXIMZ-REWHXWOFAI

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	18mg/kg (18mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01867,
rat	LD50	oral	2219mg/kg (2219mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 15(Suppl

Product Name

Benzyltriethylammonium chloride

Synthetic route

Benzyltriethylammonium chloride Specification

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