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CAS No.: | 753-90-2 |
---|---|
Name: | 2,2,2-TRIFLUOROETHYLAMINE |
Article Data: | 39 |
Molecular Structure: | |
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 |
Conditions | Yield |
---|---|
With dmap; ammonia at 110℃; Temperature; | 94% |
With ammonia; water at 190℃; | |
With ammonia; water at 185℃; |
Conditions | Yield |
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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% |
Conditions | Yield |
---|---|
With hydrogen at 60-80°C 80 atm; | 29% |
With H2; catalyst: Pd-activated carbon at 60-80°C 80 atm; | 29% |
Conditions | Yield |
---|---|
With hydrogen at 60-80°C 80 atm; | 10% |
With H2; catalyst: Pd-activated carbon at 60-80°C 80 atm; | 10% |
Conditions | Yield |
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With ammonia; sodium iodide at 140℃; | |
With ammonia; water at 190℃; |
Conditions | Yield |
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With diethyl ether; platinum at 20 - 60℃; Hydrogenation.unter Druck; | |
With H2; platinum(IV) oxide at 50-60°C; product isolated as CF3CH2NH2*HCl; |
3,3,3-trifluoropropionamide
A
trifluoroethylamine
B
2,3-dibromo-3,3-difluoro-propionic acid bromoamide
Conditions | Yield |
---|---|
With potassium hydroxide; bromine |
Conditions | Yield |
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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 |
Conditions | Yield |
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With hydrogenchloride; iron |
[2-Methyl-prop-(E)-ylidene]-(2,2,2-trifluoro-ethyl)-amine
trifluoroethylamine
Conditions | Yield |
---|---|
In water at 35℃; Equilibrium constant; |
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Reported in EPA TSCA Inventory.
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 |