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Triethylamine hydrobromide

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Name

Triethylamine hydrobromide

EINECS 211-263-8
CAS No. 636-70-4 Density 1.314[at 20℃]
PSA 3.24000 LogP 2.30620
Solubility Soluble in water, alcohol and chloroform. Melting Point 246-248 °C
Formula C6H15N.HBr Boiling Point 90.5 °C at 760 mmHg
Molecular Weight 182.104 Flash Point >65oC
Transport Information N/A Appearance white to off-white flakes
Safety 36/37/39-26-22 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 636-70-4 (TRIETHYLAMINE HYDROBROMIDE) Hazard Symbols IrritantXi
Synonyms

Ethanamine,N,N-diethyl-, hydrobromide (9CI);Triethylamine, hydrobromide (8CI);Triethylammonium bromide;N,N-diethylethanaminium bromide;ethanamine, N,N-diethyl-, hydrobromide (1:1);N,N-Diethylethanaminium bromide;N,N-Diethylethanamine hydrobromide (1:1);

Article Data 77

Triethylamine hydrobromide Specification

The Ethanamine,N,N-diethyl-, hydrobromide (1:1), with the CAS registry number 636-70-4 and EINECS registry number 211-263-8, has the systematic name of N,N-diethylethanaminium bromide. It is a kind of white to off-white flakes, and it is also hygroscopic. The molecular formula of this chemical is C6H15N.HBr.

The physical properties of Ethanamine,N,N-diethyl-, hydrobromide (1:1) are as following: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -1.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Enthalpy of Vaporization: 31.01 kJ/mol; (14)Boiling Point: 90.5 °C at 760 mmHg; (15)Vapour Pressure: 56.1 mmHg at 25°C.

Preparation of Ethanamine,N,N-diethyl-, hydrobromide (1:1): This chemical can be prepared by triethylamine and dibromo-nitro-acetonitrile, and the other proudct is Triethylammonium Cyanonitromethylide. The reaction will need the solvent CCl4. The reaction time is 10 minutes with temperature of 25 °C, and the yield is about 5%.

Ethanamine,N,N-diethyl-, hydrobromide (1:1) can be prepared by triethylamine and dibromo-nitro-acetonitrile, and the other proudct is Triethylammonium Cyanonitromethylide

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].CC[NH+](CC)CC
(2)InChI: InChI=1/C6H15N.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
(3)InChIKey: NRTLTGGGUQIRRT-UHFFFAOYAZ

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