Triethylamine trihydrofluoride supplier

Name
Triethylamine trihydrofluoride
EINECS 277-550-5
CAS No. 73602-61-6
Article Data2
CAS DataBase
Density 0.989g/mLat 25°C(lit.)
Solubility completely soluble in water
Melting Point -29 - -27 °C
Formula C₆H₁₅N^.3HF
Boiling Point 70°C15mm Hg(lit.)
Molecular Weight 161.211
Flash Point 90.5 °C at 760 mmHg
Transport Information UN 3265 8/PG 2
Appearance clear yellow liquid
Safety 26-36/37/39-45-7/9
Risk Codes 26/27/28-35
Molecular Structure
Hazard Symbols T+,C,Xi
Synonyms Ethanamine,N,N-diethyl-, trihydrofluoride (9CI);Triethylamine trihydrofluoride;Triethylamine tris(hydrogen fluoride);
PSA 3.24000
LogP 2.94620

Synthetic route

: 76-37-9
2,2,3,3-tetrafluoropropanol

: 422-61-7
perfluoropropanoyl fluoride

A: 73602-61-6
triethylamine tris(hydrogen fluoride)

B: 1H,1H,3H-perfluoropropyl perfluoropropionate

Conditions

Conditions	Yield
With triethylamine at 5 - 20℃; for 5h;	A 88% B 91%

...Expand

: 2062-98-8, 125037-08-3
perfluoro(2-propoxypropionyl) fluoride

: 76-37-9
2,2,3,3-tetrafluoropropanol

A: 73602-61-6
triethylamine tris(hydrogen fluoride)

B: 1H,1H,3H-perfluoropropyl perfluoro-α-propoxypropionate

Conditions

Conditions	Yield
With triethylamine at 5 - 20℃;

...Expand

: 76-37-9
2,2,3,3-tetrafluoropropanol

: 375-84-8
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl fluoride

A: 73602-61-6
triethylamine tris(hydrogen fluoride)

B: 1H,1H,3H-perfluoropropyl perfluoroenanthate

Conditions

Conditions	Yield
With triethylamine at 5 - 20℃;

...Expand

: 354-34-7
trifluoroacetyl fluoride

: 355-80-6
2,2,3,3,4,4,5,5-octafluoropentan-1-ol

A: 79614-48-5
1,1,5-trihydroperfluoroamyl trifluoroacetate

B: 73602-61-6
triethylamine tris(hydrogen fluoride)

Conditions

Conditions	Yield
With triethylamine at 5 - 20℃;

...Expand

: 38078-09-0
diethylamino-sulfur trifluoride

: C6H15N*2FH*H(1+)*BF4(1-)

A: 73602-61-6
triethylamine tris(hydrogen fluoride)

B: ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate

Conditions

Conditions	Yield
In [D3]acetonitrile at 20℃; for 0.166667h; Inert atmosphere; Molecular sieve;

...Expand

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: 121-44-8
triethylamine

: triethylammonium dihydrofluoride

Conditions

Conditions	Yield
	100%
In tetrahydrofuran

: 743460-39-1
biphenyl-2-ylcarbamic Acid 1-(2-{5-[(R)-2-(8-Benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-(tert-butyldimethylsilanyloxy)ethylamino]pentylcarbamoyl}ethyl)piperidin-4-yl Ester

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: 743460-40-4
biphenyl-2-ylcarbamic Acid 1-(2-{5-[(R)-2-(8-Benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethylamino]pentylcarbamoyl}ethyl)piperidin-4-yl Ester

Conditions

Conditions	Yield
In dichloromethane for 10h;	100%

: pyridin-1-ium [3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]sulfatee

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: triethylammonium [3-[4-(hydroxymethyl)pyrazol-1-yl]-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]sulfate

Conditions

Conditions	Yield
In acetonitrile at 40℃; for 2.5h; Inert atmosphere;	100%

: 743461-30-5
biphenyl-2-ylcarbamic Acid 1-{2-[3-(3-{[(R)-2-(tert-butyldimethylsilanyloxy)-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]methyl}benzyl)ureido]ethyl}-piperidin-4-yl Ester

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: biphenyl-2-ylcarbamic acid 1-{2-[3-(3-{[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]methyl}benzyl)ureido]ethyl}piperidin-4-yl ester ditrifluoroacetate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 15h;	99%

: [Au(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)(OtAm)]

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: C27H36AuFN2

Conditions

Conditions	Yield
In benzene	99%

: [Rh(OH)(cod)]2

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: [(1,5-cyclooctadiene)3Rh3(μ3-OH)2](1+)FHF(1-)

Conditions

Conditions	Yield
In tetrahydrofuran byproducts: H2O; (glovebox); addn. of a soln. of fluorine compd. in THF to a mixt. of rhodium complex in THF, stirring at room temp. for 45 min; sepn. of ppt., washing with THF, ether, drying in vac.; elem. anal.;	98%

: [Ir(hydroxide)(1,5-cyclooctadiene)(1,3-diisopropylimidazol-2-ylidene)]

: 73602-61-6
triethylamine tris(hydrogen fluoride)

Conditions

Conditions	Yield
In benzene at 20℃; for 4.5h; Inert atmosphere; Schlenk technique;	97%

1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione: 1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: C16H18BFINO6

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 0.116667h; Sealed tube; regioselective reaction;	96%

...Expand

: 2232-12-4
1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione

: 1237789-57-9
2-methyl-phenylethynylboronic acid MIDA ester

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: C14H14BFINO4

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 0.333333h; Sealed tube; regioselective reaction;	96%

...Expand

: 2232-12-4
1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione

: C11H16BNO4

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: C11H16BFINO4

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 0.333333h; Sealed tube; regioselective reaction;	96%

...Expand

: 1110599-03-5
cannabidiol (t-butyldimethylsilyloxy)acetate

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: 1110598-88-3
cannabidiol glycolate

Conditions

Conditions	Yield
In dichloromethane at -15 - 5℃; for 65h;	95%

: 879551-01-6
(4S,5R)-ethyl-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-4-meth-yl-1,3,2-dioxathiolane-4-carboxylate 2,2-dioxide

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: C11H18O8S*C6H15N*FH

Conditions

Conditions	Yield
In tetrahydrofuran at 60℃; for 1.5h; Solvent; Temperature; Concentration;	95%

: 2232-12-4
1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: C13H14BFINO4

Conditions

Conditions	Yield
In dichloromethane at 20℃; Sealed tube; regioselective reaction;	95%

...Expand

: hydroxy(1,5-cyclooctadiene)rhodium(I) dimer

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: 603-35-0
triphenylphosphine

: 36564-80-4
fluorotris(triphenylphosphine)rhodium(I)

Conditions

Conditions	Yield
In diethyl ether under N2; Et3N*3HF added to stiring mixt. of Rh complex and PPh3 (molar ratio 1:1.4:18.5) in ether; stirred for 2 h; filtered; ppt. washed with ether; dried under vac.; elem. anal.;	94%
In diethyl ether under N2; Et3N*3HF added to stiring mixt. of Rh complex and PPh3 (molar ratio 1:1.3:17) in ether; stirred at room temp. for 3 h; ppt. sepd.; washed with ether; dried under vac.;	90%
In diethyl ether under N2; Et3N*3HF added to stiring mixt. of Rh complex and PPh3 (molar ratio 1:1.6:21.7) in ether; stirred for 2 h; filtered; ppt. washed with THF, benzene and ether; dried under vac. overnight;	65%

...Expand

: 2232-12-4
1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione

: C11H14BNO4

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: C11H14BFINO4

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 0.25h; Sealed tube; regioselective reaction;	94%

...Expand

: Ir(1,5-cyclooctadiene)(OH)(1,3-(2,6-diisopropylphenyl)imidazol-2-ylidene)

: 73602-61-6
triethylamine tris(hydrogen fluoride)

Conditions

Conditions	Yield
In benzene at 20℃; for 4.5h; Inert atmosphere; Schlenk technique;	93%

: 2232-12-4
1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione

: C14H16BNO4

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: C14H16BFINO4

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 0.0333333h; Sealed tube; regioselective reaction;	93%

...Expand

: 2232-12-4
1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione

: C14H16BNO5

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: C14H16BFINO5

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 0.0333333h; Sealed tube; regioselective reaction;	93%

...Expand

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: 212061-27-3
5'-O-tert-butyldiphenylsilyl-2'-O-[N,N dimethylaminooxyethyl]-5-methyluridine

: 212061-28-4
2'-O-{2-[(N,N-dimethylamino)oxy]ethyl}-5-methyluridine

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 24h;	92.5%

: 726173-84-8
[(1,5-cyclooctadiene)Rh((i-Pr3P)(F)]

: 73602-61-6
triethylamine tris(hydrogen fluoride)

: 753014-15-2
[Rh(FHF)(1,5-cyclooctadiene)(P(i)Pr3)]

Conditions

Conditions	Yield
In tetrahydrofuran byproducts: (C2H5)3N; (N2); a soln. of Rh complex treated with NEt3*3HF at room temp., stirredfor 50 min; evapd. (vac.), extd. (Et2O), the ext. filtered, evapd. (vac.), washed with n-pentane, dried (vac.); elem. anal.;	92%

Triethylamine trihydrofluoride Specification

The Triethylamine trihydrofluoride, with the CAS registry number 73602-61-6, is also known as Triethylamine tris(hydrogen fluoride). It belongs to the product categories of Fluorinating Reagents; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Fluorination; Halogenation; Nucleophilic Fluorinating Reagents; Synthetic Organic Chemistry. Its EINECS number is 277-550-5. This chemical's molecular formula is C₆H₁₅N^.3HF and molecular weight is 161.21. What's more, its systematic name is N,N-Diethylethanamine trihydrofluoride. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from strong oxides, water and moisture.

Physical properties of Triethylamine trihydrofluoride are: (1)ACD/LogP: 1.657; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -1.20; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 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.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed, and it is very toxic by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. You should keep the container tightly closed and in a well-ventilated place. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: F.F.F.N(CC)(CC)CC
(2)Std. InChI: InChI=1S/C6H15N.3FH/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;3*1H
(3)Std. InChIKey: IKGLACJFEHSFNN-UHFFFAOYSA-N

Product Name

Triethylamine trihydrofluoride

Synthetic route

Triethylamine trihydrofluoride Specification

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