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| CAS No.: | 56-93-9 |
|---|---|
| Name: | Benzyltrimethylammonium chloride |
| Article Data: | 14 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H16ClN |
| Molecular Weight: | 185.697 |
| 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; |
| EINECS: | 200-300-3 |
| Density: | 1.08 g/mL at 25 °C |
| Melting Point: | 236 °C (Decomposes) |
| Boiling Point: | >135oC (Some decomp) |
| Solubility: | 800 g/L in water |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/38-36 |
| Safety: | 26-37/39 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 0.00000 |
| LogP: | -1.10320 |
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| Conditions | Yield |
|---|---|
| In ethanol; acetone Alkylation; | 95% |
| Conditions | Yield |
|---|---|
| In diethyl ether; water Ambient temperature; | 94% |
| With methanol | |
| With ethanol |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol at 0℃; for 0.5h; | 73% |
| Conditions | Yield |
|---|---|
| With 1-ethyl-3-methylimidazolium bromide at 169.84℃; for 8h; | 71.3% |
A
- 56-93-9
benzyltrimethylammonium chloride
B
- 232279-44-6
Trp-Aib-Gly-Leu-NHPh
| Conditions | Yield |
|---|---|
| In chloroform-d1 at 24.84℃; Equilibrium constant; complex formation; |
A
- 56-93-9
benzyltrimethylammonium chloride
B
- 271770-12-8
Trp-Aib-Gly-Leu-NH-C6H3(3,5-Me2)
| Conditions | Yield |
|---|---|
| In chloroform-d1 at 24.84℃; Equilibrium constant; complex formation; |
- 56-93-9
benzyltrimethylammonium chloride
| 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 | 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; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: acetonitrile / 12 h / 50 °C 2: Dowex 22 chloride form / acetonitrile View Scheme |
| Conditions | Yield |
|---|---|
| With Dowex 22 chloride form In acetonitrile | 108 mg |
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Chemistry
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
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.
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. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
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, NOx, and Cl−.
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.