Benzyltrimethylammonium chloride supplier

Name
Benzyltrimethylammonium chloride
EINECS 200-300-3
CAS No. 56-93-9
Article Data14
CAS DataBase
Density 1.08 g/mL at 25 °C
Solubility 800 g/L in water
Melting Point 236 °C (Decomposes)
Formula C₁₀H₁₆ClN
Boiling Point >135oC (Some decomp)
Molecular Weight 185.697
Flash Point
Transport Information UN 2811 6.1/PG 3
Appearance white to light yellow crystal powder
Safety 26-37/39
Risk Codes 22-36/38-36
Molecular Structure
Hazard Symbols Xn
Synonyms benzyltrim-ethyl-ammonium chloride;Ammonium,benzyltrimethyl-, chloride (8CI);Benzenemethanaminium, N,N,N-trimethyl-,chloride (9CI);Benzenemethanaminium,N,N,N-trimethyl-, chloride (1:1);BTM;BTMAC 100;Hipochem Migrator J;TMBAC;Trimethylbenzylammonium chloride;Variquat B 200;
PSA 0.00000
LogP -1.10320

Synthetic route

: 100-39-0
benzyl bromide

: 75-50-3
trimethylamine

: 56-93-9
benzyltrimethylammonium chloride

Conditions

Conditions	Yield
In ethanol; acetone Alkylation;	95%

: 100-44-7
benzyl chloride

: 75-50-3
trimethylamine

: 56-93-9
benzyltrimethylammonium chloride

Conditions

Conditions	Yield
In diethyl ether; water Ambient temperature;	94%
With methanol
With ethanol

: 122-08-7
benzyltrismethylammonium methoxide

: 56-93-9
benzyltrimethylammonium chloride

Conditions

Conditions	Yield
With hydrogenchloride In methanol at 0℃; for 0.5h;	73%

: 3459-92-5
DBC

: 593-81-7
trimethylamine hydrochloride

: 56-93-9
benzyltrimethylammonium chloride

Conditions

Conditions	Yield
With 1-ethyl-3-methylimidazolium bromide at 169.84℃; for 8h;	71.3%

: C29H38N6O4*C10H16N(1+)*Cl(1-)

A: 56-93-9
benzyltrimethylammonium chloride

B: 232279-44-6
Trp-Aib-Gly-Leu-NHPh

Conditions

Conditions	Yield
In chloroform-d1 at 24.84℃; Equilibrium constant; complex formation;

: C31H42N6O4*C10H16N(1+)*Cl(1-)

A: 56-93-9
benzyltrimethylammonium chloride

B: 271770-12-8
Trp-Aib-Gly-Leu-NH-C6H3(3,5-Me2)

Conditions

Conditions	Yield
In chloroform-d1 at 24.84℃; Equilibrium constant; complex formation;

: trimethylbenzylammonium diiodochloride

: 56-93-9
benzyltrimethylammonium chloride

Conditions

Conditions	Yield
In chloroform Equilibrium constant;

: 100-46-9
benzylamine

: 74-88-4
methyl iodide

A: 56-93-9
benzyltrimethylammonium chloride

B: 103-67-3
benzyl-methyl-amine

Conditions

Conditions	Yield
Stage #1: benzylamine; methyl iodide With 1,1,1,3',3',3'-hexafluoro-propanol In d(4)-methanol at 20℃; for 1h; Stage #2: With hydrogenchloride In water for 1h; Reagent/catalyst; Time;

...Expand

: 100-39-0
benzyl bromide

: 56-93-9
benzyltrimethylammonium chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetonitrile / 12 h / 50 °C 2: Dowex 22 chloride form / acetonitrile View Scheme

: 5350-41-4
trimethylbenzylammonium bromide

: 56-93-9
benzyltrimethylammonium chloride

Conditions

Conditions	Yield
With Dowex 22 chloride form In acetonitrile	108 mg

: 998-40-3
tributylphosphine

: 56-93-9
benzyltrimethylammonium chloride

: 1224-56-2
tributylbenzylphosphonium chloride

Conditions

Conditions	Yield
at 100℃; for 0.166667h; Irradiation;	100%

: 14104-20-2
silver tetrafluoroborate

: 169697-22-7
iron(II) octaethyltetraazaporphyrin

: 56-93-9
benzyltrimethylammonium chloride

: 141045-99-0
chloroiron(III) 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraazaporphyrinate

Conditions

Conditions	Yield
In dichloromethane; toluene byproducts: Ag; inert atmosphere; addn. of AgBF4 to the Fe-complex in toluene; stirred for 30 min; filtration off of Ag (Celite), evapn. (vac.), dissoln. in CH2Cl2, addn. of PhCH2N(CH3)3Cl, stirring (15 min);; filtration (Celite), partial evapn. (vac.), crystn. (hexane/C6H6, slow evapn.);;	100%

...Expand

: Mo(allyl)(carbonyl)2(acetonitrile)2(bromide)

: Na2[7,8-Ph2-7,8-nido-C2B9H9]

: 56-93-9
benzyltrimethylammonium chloride

: 189502-86-1
C6H5CH2N(CH3)3(1+)*(CO)2(C3H5)MoC2B9H9(C6H5)2(1-)=[C6H5CH2N(CH3)3][(CO)2(C3H5)MoC2B9H9(C6H5)2]

Conditions

Conditions	Yield
In tetrahydrofuran refluxing equimolar amts. of carborane and No-complex, solvent removal (vac.), dissoln. in CH2Cl2, addn. of BzNMe3Cl; trituration with pentane;	99%

...Expand

: 56-93-9
benzyltrimethylammonium chloride

: 84864-61-9
rac-Potassium mandelate

: benzyltrimethylammonium mandelate

Conditions

Conditions	Yield
In water at 60℃; for 6h;	99%

: 6161-87-1
2-(2,4,6-trichloro-phenoxy)-ethanol

: 56-93-9
benzyltrimethylammonium chloride

: 13001-29-1
2-(2,4,6-trichlorophenoxy)-ethyl chloride

Conditions

Conditions	Yield
With thionyl chloride In tetrachloromethane; water	98%

: 10213-10-2
sodium tungstate (VI) dihydrate

: 2-nitrophenylphenyl sulfide

: 56-93-9
benzyltrimethylammonium chloride

: 2-nitrophenylphenyl sulfone

Conditions

Conditions	Yield
With sulfuric acid; dihydrogen peroxide In toluene	97.6%

...Expand

: 107-31-3
Methyl formate

: 56-93-9
benzyltrimethylammonium chloride

: 104-82-5
4-Methylbenzyl chloride

: 4-methylbenzyl formate

Conditions

Conditions	Yield
With sodium formate	97%

...Expand

: 56-93-9
benzyltrimethylammonium chloride

: 114971-52-7
N,N,N-trimethylbenzenemethanaminium dichloroiodate

Conditions

Conditions	Yield
With hydrogenchloride; dihydrogen peroxide; iodine In water; acetonitrile at 20℃; Cooling with ice;	96%
With Iodine monochloride In dichloromethane; water for 0.5h; Ambient temperature;	86%
With Iodine monochloride In dichloromethane; water for 0.5h; Ambient temperature;	86%
With Iodine monochloride In dichloromethane; water at 20℃; for 0.666667h;

: 56-93-9
benzyltrimethylammonium chloride

: 121309-88-4
benzyltrimethylazanium tetrachloro-λ3-iodanuide

Conditions

Conditions	Yield
With iodine trichloride In dichloromethane for 0.5h; Ambient temperature;	96%

: 13463-40-6
iron pentacarbonyl

: potassium tellurite monohydrate

: 56-93-9
benzyltrimethylammonium chloride

: 2C6H5CH2N(CH3)3(1+)*Te6Fe8(CO)24(2-)=(C6H5CH2N(CH3)3)2[Te6Fe8(CO)24]

Conditions

Conditions	Yield
With KOH In methanol; water N2-atmosphere; addn. of Te-salt in water to Fe(CO)5 in 50 % KOH (aq.) and MeOH; stirring (2 h, room temp.); filtration; dropwise addn. of ammonium salt in water (pptn.); filtration; washing (water); drying (vac.); recrystn. (CH2Cl2); elem. anal.;	96%

...Expand

: 52427-61-9
potassium 1,2-cyclobutane-3,4-dithiolate

: 10025-82-8
indium(III) chloride

: 56-93-9
benzyltrimethylammonium chloride

: tris(benzyltrimethylammonium) [tris(1,2-dithioquadratato-S,S')indate(III)]

Conditions

Conditions	Yield
In water 3-3 equiv. of K-salt and N-compd. were dissolved in H2O, 1 equiv. of InCl3 was slowly added in H2O; ppt. was filtered off, dried in an exsiccator, elem. anal.;	96%

...Expand

: BF4(1-)*C26H21MnO2P(1+)*0.25CH2Cl2

: 56-93-9
benzyltrimethylammonium chloride

: C26H33ClMnO2P

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere; Schlenk technique;	96%

: 56-93-9
benzyltrimethylammonium chloride

: benzyltrimethylazanium tribroman-2-uide

Conditions

Conditions	Yield
With sulfuric acid; dihydrogen peroxide; potassium bromide; molybdic acid In water at 0 - 20℃; for 0.916667h;	95.25%
With sodium bromate; hydrogen bromide In dichloromethane; water for 0.25h;	85%
With sodium bromate; hydrogen bromide In water Ambient temperature;	78%

: 56-93-9
benzyltrimethylammonium chloride

: benzyltrimethylammonium tribromide

Conditions

Conditions	Yield
With sulfuric acid; dihydrogen peroxide; potassium bromide; molybdic acid In water at 0 - 20℃; for 0.916667h; Product distribution / selectivity;	95.25%

: 56-93-9
benzyltrimethylammonium chloride

: 603-35-0
triphenylphosphine

: 1100-88-5
benzyltriphenylphosphonium chloride

Conditions

Conditions	Yield
at 250℃; for 0.166667h; Irradiation;	95%

: 56-93-9
benzyltrimethylammonium chloride

: 70857-63-5
bis<3-<3-(3-hydroxypropyl)-1,1,3,3-tetramethyldisiloxanyl>propyl> sulfosuccinate sodium salt

: 82803-88-1
bis<3-<3-(3-hydroxypropyl)-1,1,3,3-tetramethyldisiloxanyl>propyl> sulfosuccinate trimethylbenzylammonium salt

Conditions

Conditions	Yield
In ethanol at 80℃; for 6h;	94.8%

: potassium selenite

: 13463-40-6
iron pentacarbonyl

: 56-93-9
benzyltrimethylammonium chloride

: 2C6H5CH2N(CH3)3(1+)*Se6Fe6(CO)12(2-)=[C6H5CH2N(CH3)3]2[Se6Fe6(CO)12]

Conditions

Conditions	Yield
With KOH In methanol N2-atmosphere; addn. of 1 equiv. of solid K2SeO3 to equimolar amt. Fe(CO)5 in MeOH (contg. excess KOH), prolonged stirring (observation of intermediates), filtration, dropwise addn. of excess aq. PhCH2NMe3Cl to filtrate (pptn.); collection (filtration), washing (water), drying (vac.), recrystn. (THF/ether); elem. anal.;	94%
With KOH In methanol; water N2-atmosphere; addn. of 1 equiv. aq. K2SeO3 to equimolar amt. Fe(CO)5 in MeOH (contg. excess KOH), stirring for 5 h (room temp.), filtration, dropwise addn. of excess aq. PhCH2NMe3Cl to filtrate (pptn.); collection (filtration), washing (water), drying (vac.), recrystn. (THF/ether); elem. anal.;	94%

...Expand

: 56-93-9
benzyltrimethylammonium chloride

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

: trimethylbenzylammonium salt of di(1,1,3-trihydrotetrafluoropropyl) sulfosuccinate

Conditions

Conditions	Yield
In ethanol at 75 - 80℃; for 2h;	92.8%

: 110-65-6
1,4-dihydroxybut-2-yne

: 56-93-9
benzyltrimethylammonium chloride

: 107-05-1
3-chloroprop-1-ene

: 90925-51-2
1,4-bis(allyloxy)-2-butyne

Conditions

Conditions	Yield
With sodium hydroxide In water	92%

...Expand

: 107-31-3
Methyl formate

: 50987-90-1
1,4-bis(chloromethyl)-2,5-dichlorobenzene

: 56-93-9
benzyltrimethylammonium chloride

: 2800-99-9
2,5-dichlorobenzene-1,4-dimethanol

Conditions

Conditions	Yield
With sodium formate In methanol; sodium methylate	92%

...Expand

: 56-93-9
benzyltrimethylammonium chloride

: 33252-64-1
3-nitro-5-trifluoromethylpyridin-2-ol

: 72587-15-6
2-chloro-3-nitro-5-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With trichlorophosphate In acetonitrile for 3h; Heating;	92%

: 56-93-9
benzyltrimethylammonium chloride

: 1413396-80-1
benzyltrimethylammonium dibromoiodate(I)

Conditions

Conditions	Yield
With hydrogenchloride; dihydrogen peroxide; iodine In water; acetonitrile at 20℃; Cooling with ice;	92%

: 5720-07-0
4-methoxyphenylboronic acid

: 56-93-9
benzyltrimethylammonium chloride

: 834-14-0
p-benzylanizole

Conditions

Conditions	Yield
With potassium phosphate; (NC5H3(N2C7H4(CH2)3CH3)2)NiBr(1+)*Br(1-)=Ni(NC5H3(N2C7H4(CH2)3CH3)2)Br2; triphenylphosphine In 1,4-dioxane at 80℃; for 24h; Suzuki-Miyaura Coupling; Schlenk technique;	92%
With potassium phosphate; palladium diacetate; XPhos In tetrahydrofuran at 50℃; for 14h; Sealed tube; Inert atmosphere;	80%

: 13463-40-6
iron pentacarbonyl

: 56-93-9
benzyltrimethylammonium chloride

: 7704-34-9
sulfur

: iron(II) chloride

: (BTMA)2[Fe4S4Cl4]

Conditions

Conditions	Yield
In acetonitrile for 72h; Inert atmosphere; Schlenk technique; Reflux;	91%

...Expand

: 56-93-9
benzyltrimethylammonium chloride

: 62607-32-3
sodium bis(2,2,3,3,4,4,5,5-octafluoro-1-pentyl) sulfosuccinate

: 80556-00-9
1,2-Bis-(2,2,3,3,4,4,5,5-octafluoro-pentyloxycarbonyl)-ethanesulfonatebenzyl-trimethyl-ammonium;

Conditions

Conditions	Yield
In ethanol at 75 - 80℃;	90%
In ethanol at 78℃; for 2h;

: 421-85-2
Trifluoromethanesulfonamide

: 711-82-0
2-(1-naphthyloxy)-1-ethanol

: 56-93-9
benzyltrimethylammonium chloride

: C13H11F3NO6S2(1-)*C10H16N(1+)

Conditions

Conditions	Yield
Stage #1: Trifluoromethanesulfonamide With pyridine; sulfuryl dichloride In acetonitrile at 20℃; for 1.5h; Cooling with ice; Stage #2: 2-(1-naphthyloxy)-1-ethanol With dmap In acetonitrile at 50 - 80℃; for 24h; Cooling with ice; Stage #3: benzyltrimethylammonium chloride In methanol; water; acetonitrile for 0.5h;	90%

...Expand

: 56-93-9
benzyltrimethylammonium chloride

: 4559-70-0
Diphenylphosphine oxide

: 2959-74-2
benzyldiphenylphosphine oxide

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium tert-butylate at 60℃; for 3h; Schlenk technique; Inert atmosphere;	90%
With [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; caesium carbonate In acetonitrile at 100℃; for 18h; Schlenk technique; Inert atmosphere;	67%

: 6-(1-ethyl-5-hydroxypyrazol-4-yl)carbonyl-3,3,5,8-tetramethylthiochroman-4-one-1,1-dioxide

: 10147-36-1
n-propanesulfonyl chloride

: 56-93-9
benzyltrimethylammonium chloride

: 189206-85-7
6-(1-Ethyl-5-n-propanesulfonyloxypyrazol-4-yl)carbonyl-3,3,5,8-tetramethylthiochroman-4-one-1,1-dioxide

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane; water	89%

...Expand

Benzyltrimethylammonium chloride Chemical Properties

Molecule structure of Benzyltrimethylammonium chloride (CAS NO.56-93-9):

IUPAC Name: Benzyl(trimethyl)azanium chloride
Molecular Formula: C₁₀H₁₆ClN
Molecular Weight: 185.70 g/mol
EINECS: 200-300-3
Density: 1.08 g/mL at 25 °C
Melting Point: 236 °C (Decomposes)
Water Solubility: 800 g/L
Sensitive: hygroscopic
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 185.097127
MonoIsotopic Mass: 185.097127
Canonical SMILES: C[N+](C)(C)CC1=CC=CC=C1.[Cl-]
InChI: InChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
InChIKey: KXHPPCXNWTUNSB-UHFFFAOYSA-M
EINECS: 200-300-3
Product Categories: Pharmaceutical Intermediates;Organics;Phenyls & Phenyl-Het;Ammonium Chlorides (Quaternary);Quaternary Ammonium Compounds;Asymmetric Synthesis;Synthetic Organic Chemistry;Phenyls & Phenyl-Het;Ammonium Salts;Greener Alternatives: Catalysis;Phase Transfer Catalysts

Benzyltrimethylammonium chloride Uses

Benzyltrimethylammonium chloride (CAS NO.56-93-9) can be used as pharmaceutical intermediate and phase transfer catalyst. It is also used for the determination of platinum, palladium and mercury and gold and used as emulsifier and inhibitor.

Benzyltrimethylammonium chloride Toxicity Data With Reference

1.		orl-rat LDLo:250 mg/kg		NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),39.
2.		orl-mus LDLo:1600 mg/kg		JPMSAE Journal of Pharmaceutical Sciences. 69 (1980),327.

Benzyltrimethylammonium chloride Consensus Reports

Reported in EPA TSCA Inventory.

Benzyltrimethylammonium chloride Safety Profile

Hazard Codes: Harmful Xn
Risk Statements: 22-36/38-36
R22:Harmful if swallowed.
R36/38:Irritating to eyes and skin.
R36:Irritating to eyes.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: BO8400000
F: 3
HS Code: 29239000
Poison by ingestion. Combustible. When heated to decomposition it emits very toxic fumes of NH₃, NO_x, and Cl⁻.

Benzyltrimethylammonium chloride Specification

Benzyltrimethylammonium chloride (CAS NO.56-93-9) is also named as Ammonium, benzyltrimethyl-, chloride ; BTM ; Benzenemethanaminium, N,N,N-trimethyl-, chloride ; Benzyl trimethylammonium chloride ; CCRIS 4587 ; HSDB 4196 ; N,N,N-Trimethylbenzenemethanaminium chloride ; Tmbac . Benzyltrimethylammonium chloride (CAS NO.56-93-9) is white to light yellow crystal powder. It is soluble in water, ethanol and butanol and insoluble in ether . Benzyltrimethylammonium chloride can react with oxidizing materials. Toxic oxides of nitrogen and hydrochloric acid fumes may form in fire. Ingestion causes gastrointestinal disturbances. Contact with liquid irritates eyes and may irritate skin.

Product Name

Benzyltrimethylammonium chloride

Synthetic route

Benzyltrimethylammonium chloride Chemical Properties

Benzyltrimethylammonium chloride Uses

Benzyltrimethylammonium chloride Toxicity Data With Reference

Benzyltrimethylammonium chloride Consensus Reports

Benzyltrimethylammonium chloride Safety Profile

Benzyltrimethylammonium chloride Specification

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