CAS No.753-90-2,2,2,2-TRIFLUOROETHYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	753-90-2
Name:	2,2,2-TRIFLUOROETHYLAMINE
Article Data:	39

Formula:	C₂H₄ F₃N
Molecular Weight:	99.0557
Synonyms:	Ethylamine,2,2,2-trifluoro- (6CI,7CI,8CI);1-Amino-2,2,2-trifluoroethane;2,2,2-Trifluoro-1-aminoethane;2,2,2-Trifluoro-1-ethanamine;2,2,2-Trifluoroethanamine;2,2,2-Trifluoroethylamine;TFEA;b,b,b-Trifluoroethylamine;
EINECS:	212-041-3
Density:	1.213 g/cm³
Melting Point:	37-38 °C
Boiling Point:	36 °C at 760 mmHg
Flash Point:	-16 °C
Appearance:	clear colorless liquid
Hazard Symbols:	F,C
Risk Codes:	11-34
Safety:	16-25-36/37/39-45
Transport Information:	UN 2733 3/PG 2
PSA:	26.02000
LogP:	1.20770

Synthetic route

: 75-88-7
1,1,1-trifluoro-2-chloroethane

: 753-90-2
trifluoroethylamine

Conditions

Conditions	Yield
With dmap; ammonia at 110℃; Temperature;	94%
With ammonia; water at 190℃;
With ammonia; water at 185℃;

: 353-85-5
trifluoroacetonitrile

A: 753-90-2
trifluoroethylamine

B: 407-01-2
bis(2,2,2-trifluoroethyl)amine

Conditions

Conditions	Yield
With hydrogen; palladium/alumina at 50-60°C; product isolated as CF3CH2NH2*HCl;	A 83% B 17%
With H2; palladium/alumina at 50-60°C; product isolated as CF3CH2NH2*HCl;	A 83% B 17%

: 2261-27-0
1-Chlor-tetrafluor-1-nitro-aethan

: 753-90-2
trifluoroethylamine

Conditions

Conditions	Yield
With hydrogen at 60-80°C 80 atm;	29%
With H2; catalyst: Pd-activated carbon at 60-80°C 80 atm;	29%

: 354-81-4
nitro pentafluoroethane

: 753-90-2
trifluoroethylamine

Conditions

Conditions	Yield
With hydrogen at 60-80°C 80 atm;	10%
With H2; catalyst: Pd-activated carbon at 60-80°C 80 atm;	10%

: 421-06-7
2-bromo-1,1,1-trifluoroethane

: 753-90-2
trifluoroethylamine

Conditions

Conditions	Yield
With ammonia; sodium iodide at 140℃;
With ammonia; water at 190℃;

: 353-85-5
trifluoroacetonitrile

: 753-90-2
trifluoroethylamine

Conditions

Conditions	Yield
With diethyl ether; platinum at 20 - 60℃; Hydrogenation.unter Druck;
With H2; platinum(IV) oxide at 50-60°C; product isolated as CF3CH2NH2*HCl;

: 460-75-3
3,3,3-trifluoropropionamide

A: 753-90-2
trifluoroethylamine

B: 432-74-6
2,3-dibromo-3,3-difluoro-propionic acid bromoamide

Conditions

Conditions	Yield
With potassium hydroxide; bromine

: 354-38-1
2,2,2-trifluoroacetamide

: 753-90-2
trifluoroethylamine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether
With sodium borate; 1,2-dimethoxyethane; boron fluoride ether
With Hexamethyldisiloxane; [(SIMes)PFMe2][B(C6F5)4]2 at 100℃; for 5h; Inert atmosphere; Schlenk technique; Glovebox;
With tetrahydrofuran; lithium aluminium tetrahydride

: 819-07-8
1,1,1-trifluoro-2-nitroethane

: 753-90-2
trifluoroethylamine

Conditions

Conditions	Yield
With hydrogenchloride; iron

: 22483-17-6
[2-Methyl-prop-(E)-ylidene]-(2,2,2-trifluoro-ethyl)-amine

: 753-90-2
trifluoroethylamine

Conditions

Conditions	Yield
In water at 35℃; Equilibrium constant;

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 2,2,2-Trifluoroethanamine, with the cas registry number 753-90-2, is a kind of clear colorless liquid. And its product categories are including Fluorochemicals.

The characteristics of this kind of chemical are as follows: (1)ACD/LogP: 0.24 ; (2)ACD/LogD (pH 5.5): -0.05; (3)ACD/LogD (pH 7.4): 0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.66; (7)ACD/KOC (pH 7.4): 31.8; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24; (12)Index of Refraction: 1.3; (13)Molar Refractivity: 15.3 cm³; (14)Molar Volume: 81.6 cm³; (15)Polarizability: 6.06×10^-24 cm³; (16)Surface Tension: 16.4 dyne/cm; (17)Density: 1.213 g/cm³; (18)Enthalpy of Vaporization: 28.1 kJ/mol; (19)Boiling Point: 36 °C at 760 mmHg; (20)Vapour Pressure: 501 mmHg at 25°C; (21)Exact Mass: 99.029584; (22)MonoIsotopic Mass: 99.029584; (23)Topological Polar Surface Area: 26; (24)Heavy Atom Count: 6; (25)Formal Charge: 0; (26)Complexity: 38.5.

The use of this chemical is as below: 2,4,6-trifluoro-[1,3,5]triazine could react with 2,2,2-trifluoro-ethylamine to produce 6-fluoro-N,N'-bis-(2,2,2-trifluoro-ethyl)-[1,3,5]triazine-2,4-diamine, with the yield of 97%.

When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. For one thing, it is irritant which may cause inflammation to the skin or other mucous membranes, and then it is toxic and could at low levels cause damage to health. For another thing, it is a kind of corrosive chemical which may destroy living tissue on contact. Lastly, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source and it has a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice; If in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Then there are some points you should be careful. Avoid contacting with eyes. While keeping, keep it away from sources of ignition - No smoking.

Additionally, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: C(C(F)(F)F)N
(2)InChI: InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2
(3)InChIKey: KIPSRYDSZQRPEA-UHFFFAOYSA-N

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	4170mg/m3/2H (4170mg/m3)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 606, 1986.
mouse	LD	intraperitoneal	> 250uL/kg (0.25mL/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 184