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| CAS No.: | 554-68-7 |
|---|---|
| Name: | Triethylamine hydrochloride |
| Molecular Structure: | |
|
|
|
| Formula: | C6H16ClN |
| Molecular Weight: | 137.653 |
| Synonyms: | Triethylammonium chloride;Triethylamine monohydrochloride;N,N-diethylethanamine hydrochloride;Ethanamine, N,N-diethyl-, hydrochloride;Amine, triethyl, hydrochloride;Triethylamine hydrochloribe; |
| EINECS: | 209-067-2 |
| Density: | 1.07 g/cm3 |
| Melting Point: | 254-260 °C |
| Boiling Point: | 90.5 °C at 760 mmHg |
| Flash Point: | 39 °C |
| Solubility: | 1440 g/L (20 °C) in water |
| Appearance: | White to off-white crystalline powder |
| Hazard Symbols: |
 Xi,  Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36-36/37/39-22 |
| PSA: | 3.24000 |
| LogP: | 2.15010 |
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(R)-tert-butyl 3-hydroxypyrrolidine-1-carboxylate
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methanesulfonyl chloride
- 121-44-8
triethylamine
A
- 554-68-7
triethylamine hydrochloride
B
- 127423-61-4
tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate
| Conditions | Yield |
|---|---|
| In toluene at 3 - 14℃; Product distribution / selectivity; | A n/a B 100% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water for 1h; Cooling; | 99% |
| With hydrogenchloride In water at 0℃; for 1h; | 73% |
| With tetrachloromethane In benzene for 164h; Irradiation; | 0.5% |
| Conditions | Yield |
|---|---|
| With triethylamine In acetonitrile at 80℃; for 8h; Heating / reflux; | A 99% B n/a |
- 2687-45-8
triethylamine N-oxide
- 97-00-7
1-chloro-2,4-dinitro-benzene
A
- 51-28-5
2,4-Dinitrophenol
B
- 554-68-7
triethylamine hydrochloride
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide for 24h; | A 98% B 98.5% |
| In N,N-dimethyl-formamide for 24h; Ambient temperature; | A 98% B 98.5% |
| Conditions | Yield |
|---|---|
| With triethylamine extn. with petroleum ether; | A n/a B 98% C n/a |
- 121-44-8
triethylamine
- 98-59-9
p-toluenesulfonyl chloride
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1-butyn-4-ol
A
- 23418-85-1
3-butyn-1-yl p-toluenesulfonate
B
- 554-68-7
triethylamine hydrochloride
| Conditions | Yield |
|---|---|
| In dichloromethane at 0 - 20℃; for 21h; | A 97% B n/a |
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran | 97% |
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methyl-5-formyl-2-hydroxybenzoate
- 121-44-8
triethylamine
- 75-36-5
acetyl chloride
B
- 554-68-7
triethylamine hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: methyl-5-formyl-2-hydroxybenzoate; triethylamine In tetrahydrofuran for 0.0333333h; Stage #2: acetyl chloride at 25℃; for 2h; | A 97% B n/a |
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran | 96% |
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triethylamine
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A
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B,B',B''-tris{bis(trimethylsilyl)amino}borazine
B
- 554-68-7
triethylamine hydrochloride
| Conditions | Yield |
|---|---|
| In benzene Addn. of mixt. of org. materials to a stirred soln. of B-compd. (C6H6) at room temp., stirring (room temp., 115 h).; Filtn. gives 96% of NEt3*HCl and 90% of borazine (obtained from filtrate). Purifn. by crystn. from hexane results in 71% pure material. Elem. anal.; | A 71% B 96% |
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Consensus Reports
Specification
The Triethylamine hydrochloride with CAS registry number of 554-68-7 is also known as Ethanamine, N,N-diethyl-, hydrochloride. The IUPAC name is N,N-Diethylethanamine hydrochloride. It belongs to product categories of HPLC; HPLC buffer; HPLC buffers; HPLC Buffers-solutionchromatography/ce Reagents; Solution. Its EINECS registry number is 209-067-2. In addition, the formula is C6H16ClN and the molecular weight is 137.65. This chemical is a white to off-white crystalline powder and should be stored sealed containers.
Physical properties about Triethylamine hydrochloride are: (1)ACD/LogP: 1.66; (2)ACD/LogD (pH 5.5): -1.44; (3)ACD/LogD (pH 7.4): -1.2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Flash Point: 39 °C; (11)Enthalpy of Vaporization: 31.01 kJ/mol; (12)Boiling Point: 90.5 °C at 760 mmHg; (13)Vapour Pressure: 56.1 mmHg at 25 °C.
Preparation of Triethylamine hydrochloride: it is prepared by reaction of methyl-prop-2-ynyl-amine. The reaction needs reagents POCl3, (C2H5)3N at the temperature of 1-20 °C. The yield is about 59.8%.
Uses of Triethylamine hydrochloride: it is used as raw material for quaternary ammonium salt, medicine, pesticides, dyes and other organic synthesis. It is used to produce triethylammonium salt of monobutyl phosphonate by reaction with phosphonic acid dibutyl ester. The reaction occurs at the temperature of 145 °C and the yield is about 85%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCN(CC)CC.Cl
2. InChI: InChI=1S/C6H15N.ClH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
3. InChIKey: ILWRPSCZWQJDMK-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | subcutaneous | 600mg/kg (600mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 37, Pg. 309, 1929. |