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554-68-7

Basic Information
CAS No.: 554-68-7
Name: Triethylamine hydrochloride
Article Data: 337
Molecular Structure:
Molecular Structure of 554-68-7 (Triethylamine hydrochloride)
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: IrritantXi, HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 26-36-36/37/39-22
PSA: 3.24000
LogP: 2.15010
Synthetic route
109431-87-0

(R)-tert-butyl 3-hydroxypyrrolidine-1-carboxylate

124-63-0

methanesulfonyl chloride

121-44-8

triethylamine

A

554-68-7

triethylamine hydrochloride

B

127423-61-4

tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate

Conditions
ConditionsYield
In toluene at 3 - 14℃; Product distribution / selectivity;A n/a
B 100%
121-44-8

triethylamine

554-68-7

triethylamine hydrochloride

Conditions
ConditionsYield
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%
7693-46-1

4-Nitrophenyl chloroformate

polyethylene glycol

polyethylene glycol

A

PEG(NPC)2

PEG(NPC)2

B

554-68-7

triethylamine hydrochloride

Conditions
ConditionsYield
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
ConditionsYield
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%

2,6-(C2H5)2C6H3NH2*BCl3

A

2,6-xylidine

B

5801-32-1

ClB{NHC6H3-2,6-(C2H5)2}2

C

554-68-7

triethylamine hydrochloride

Conditions
ConditionsYield
With triethylamine extn. with petroleum ether;A n/a
B 98%
C n/a
121-44-8

triethylamine

98-59-9

p-toluenesulfonyl chloride

927-74-2

1-butyn-4-ol

A

23418-85-1

3-butyn-1-yl p-toluenesulfonate

B

554-68-7

triethylamine hydrochloride

Conditions
ConditionsYield
In dichloromethane at 0 - 20℃; for 21h;A 97%
B n/a
96-45-7

N,N'-ethylenethiourea

554-68-7

triethylamine hydrochloride

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran97%
41489-76-3

methyl-5-formyl-2-hydroxybenzoate

121-44-8

triethylamine

75-36-5

acetyl chloride

A

methyl 2-acetoxy-5-formylbenzoate

B

554-68-7

triethylamine hydrochloride

Conditions
ConditionsYield
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
56-75-7

chloramphenicol

644-97-3

Dichlorophenylphosphine

554-68-7

triethylamine hydrochloride

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran96%
933-18-6

B,B',B''-trichloroborazine

121-44-8

triethylamine

999-97-3

1,1,1,3,3,3-hexamethyl-disilazane

A

113665-33-1

B,B',B''-tris{bis(trimethylsilyl)amino}borazine

B

554-68-7

triethylamine hydrochloride

Conditions
ConditionsYield
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

Reported in EPA TSCA Inventory.

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%.

Triethylamine hydrochloride is prepared by reaction of methyl-prop-2-ynyl-amine.

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%.

Triethylamine hydrochloride is used to produce triethylammonium salt of monobutyl phosphonate by reaction with phosphonic acid dibutyl ester.

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.