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| CAS No.: | 56-37-1 |
|---|---|
| Name: | Benzyltriethylammonium chloride |
| Molecular Structure: | |
|
|
|
| Formula: | C13H22ClN |
| Molecular Weight: | 227.777 |
| 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; |
| EINECS: | 200-270-1 |
| Density: | 1.08 g/mL at 25 °C |
| Melting Point: | 239 °C (dec.)(lit.) |
| Boiling Point: | 366.11°C (rough estimate) |
| Flash Point: | > 100 °C |
| Solubility: | 700 g/L (20 °C) in water |
| Appearance: | white to light yellow crystallize powder |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36-37/39 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 0.00000 |
| LogP: | 0.06710 |
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| Conditions | Yield |
|---|---|
| at 20℃; | 100% |
| In acetonitrile for 1h; Reflux; | 95% |
| 75% |
| Conditions | Yield |
|---|---|
| With 1-ethyl-3-methylimidazolium bromide at 169.84℃; for 8h; | 99% |
| 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 | Yield |
|---|---|
| 2 In acetonitrile for 24h; Product distribution; Irradiation; 1-bromopentane as other substrate; various photocatalysts; | A 70% B 22% |
- 138554-42-4
triethylbenzylammonium 2,4-dinitrophenolate
A
- 56-37-1
N-benzyl-N,N,N-triethylammonium chloride
| 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
| 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 | 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
| 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; |
- 56-37-1
N-benzyl-N,N,N-triethylammonium chloride
| 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
| Conditions | Yield |
|---|---|
| In tetrahydrofuran for 12h; Inert atmosphere; | 99% |
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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%.
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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.
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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 |
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