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| CAS No.: | 373-88-6 |
|---|---|
| Name: | 2,2,2-Trifluoroethylamine hydrochloride |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C2H4F3N.HCl |
| Molecular Weight: | 135.517 |
| Synonyms: | Ethanamine,2,2,2-trifluoro-, hydrochloride (9CI);Ethylamine, 2,2,2-trifluoro-,hydrochloride (7CI,8CI);2,2,2-Trifluoro-1-ethanamine hydrochloride;2,2,2-Trifluoroethanamine hydrochloride;Trifluoroethylamine hydrochloride; |
| EINECS: | 206-771-1 |
| Density: | 1.24 g/cm3 |
| Melting Point: | 220-222 °C (subl.)(lit.) |
| Boiling Point: | 36 °C at 760 mmHg |
| Flash Point: | 27.6oC |
| Solubility: | It is Soluble in 0.7 to water, but soluble in ethanol and chloroform, slightly soluble in benzene, hardly soluble in ether. |
| Appearance: | white to light yellow crystalline powder |
| Hazard Symbols: |
 Xn,  T,  Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 36/37-24/25-26 |
| PSA: | 26.02000 |
| LogP: | 2.00970 |
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| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol; water at 25 - 50℃; for 1h; Temperature; | 96.3% |
| Conditions | Yield |
|---|---|
| Stage #1: benzylamine; trifluoroacetic acid With tetrachloromethane; TEA; triphenylphosphine In chloroform at 80℃; for 0.666667h; Stage #2: With TEA; water at 80℃; for 12h; Stage #3: With hydrogenchloride In methanol for 12h; Heating; | 94% |
- 373-88-6
2,2,2-trifluroethylamine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In diethyl ether for 4h; Ambient temperature; | 87% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol for 24h; Heating; |
- 1631-26-1
1-benzyl-1H-pyrrole-2,5-dione
- 373-88-6
2,2,2-trifluroethylamine hydrochloride
- 1428147-22-1
3a,6a-dihydro-5-(phenylmethyl)-3-(trifluoromethyl)pyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
| Conditions | Yield |
|---|---|
| Stage #1: 2,2,2-trifluroethylamine hydrochloride With sodium nitrite In dodecane; water Inert atmosphere; Stage #2: 1-benzyl-1H-pyrrole-2,5-dione In diethyl ether at 20℃; Inert atmosphere; | 100% |
- 500-22-1
3-pyridinecarboxaldehyde
- 373-88-6
2,2,2-trifluroethylamine hydrochloride
- 1424799-68-7
(pyridine-3-ylmethylene)(2,2,2-trifluoroethyl)amine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; toluene at 20℃; Cooling with ice; | 100% |
| With triethylamine In acetonitrile at 0 - 20℃; for 15h; | 84% |
- 373-88-6
2,2,2-trifluroethylamine hydrochloride
- 35344-95-7
1H-pyrazole-4-carbaldehyde
- 1424799-64-3
(1H-pyrazol-4-ylmethylene)(2,2,2-trifluoroethyl)amine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; toluene at 20℃; Cooling with ice; | 100% |
- 373-88-6
2,2,2-trifluroethylamine hydrochloride
- 79-04-9
chloroacetyl chloride
- 170655-44-4
2-chloro-N-(2,2,2-trifluoroethyl)acetamide
| Conditions | Yield |
|---|---|
| Stage #1: 2,2,2-trifluroethylamine hydrochloride With tert-butyl methyl ether; sodium hydroxide In water at 20℃; for 0.5h; Stage #2: chloroacetyl chloride at 5 - 10℃; for 1h; | 100% |
| With potassium carbonate In dichloromethane; water at 0 - 30℃; for 3.16667h; | 87.2% |
| Stage #1: 2,2,2-trifluroethylamine hydrochloride With sodium hydroxide In tert-butyl methyl ether; water at 0℃; for 0.5h; Stage #2: chloroacetyl chloride In tert-butyl methyl ether; water at 0℃; for 1h; | 63% |
| Stage #1: 2,2,2-trifluroethylamine hydrochloride With sodium hydroxide In tert-butyl methyl ether; water at 0 - 5℃; for 0.5h; Stage #2: chloroacetyl chloride In tert-butyl methyl ether; water at 5 - 10℃; for 1h; |
| Conditions | Yield |
|---|---|
| With dmap; meso-tetraphenylporphyrin iron(III) chloride; sulfuric acid; sodium acetate; sodium nitrite In water at 20℃; for 14.0167h; Inert atmosphere; diastereoselective reaction; | 99% |
| With dmap; meso-tetraphenylporphyrin iron(III) chloride; sulfuric acid; sodium acetate; sodium nitrite In water for 14h; Inert atmosphere; |
- 373-88-6
2,2,2-trifluroethylamine hydrochloride
- 922-67-8
propynoic acid methyl ester
- 6833-82-5
3-trifluoromethyl-1H-pyrazole-5-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With sodium nitrite In dichloromethane; water at 0 - 20℃; for 24h; | 99% |
| With sodium nitrite In dichloromethane; water at 20℃; for 72h; | |
| With sodium nitrite In dichloromethane; water at 0 - 20℃; |
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Chemistry
IUPAC Name: 2,2,2-Trifluoroethanamine hydrochloride
Synonyms of Trifluoroethylamine hydrochloride (CAS NO.373-88-6): Trifluoroethylamine hydrochloride ; 2,2,2-Trifluoroethylamine hydrochloride ; 2,2,2-Trifluoro-ethyl-ammonium chloride ; 2-Amino-1,1,1-trifluoroethane hydrochloride ; 2,2,2-Trifluoro-ethanaminhydrochloride ; Trifluoro-ethylaminhydrochloride ; 2,2,2-Trifluoroethylaminehcl
CAS NO: 373-88-6
Molecular Formula: C2H5ClF3N
Molecular Weight: 135.52
Molecular Weight: 
EINECS: 206-771-1
Mol File: 373-88-6.mol
H bond acceptors: 1
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 3.24 Å2
Flash Point: 27.6 °C
Density: 1,24g/cm3
Refractive index: 1,3-1,302
Sensitive : Hygroscopic
Enthalpy of Vaporization: 36.74 kJ/mol
Boiling Point: 121.9 °C at 760 mmHg
Melting point: 220-222 °C (subl.)(lit.)
Vapour Pressure: 13 mmHg at 25°C
Appearance: white to light yellow crystalline powder
SMILES: Cl.FC(F)(F)CN
InChI: InChI=1/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H
InChIKey: ZTUJDPKOHPKRMO-UHFFFAOYAV
Std. InChI: InChI=1S/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H
Std. InChIKey: ZTUJDPKOHPKRMO-UHFFFAOYSA-N
Uses
Trifluoroethylamine hydrochloride (CAS NO.373-88-6) is used as pharmaceutical intermediates.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | unreported | 476mg/kg (476mg/kg) | "Fluorine Chemistry, Volume III. Biological Effects of Organic Fluorides," Simons, J.H., ed., New York, Academic Press, Inc., 1963Vol. 3, Pg. 81, 1963. |
Safety Profile
Hazard Codes: Xn,Xi.gif){kind=small}
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Risk Statements: 20/21/22-36/37/38
Vapour Pressure: 13 mmHg at 25°C
36/37/38: Irritating to eyes, respiratory system and skin .
Safety Statements: 36/37-24/25-26
36/37: Irritating to eyes and respiratory system.
24/25: Toxic in contact with skin and if swallowed.
26: Very Toxic by inhalation.
WGK Germany: 3
RTECS: KS0250000
F: 3-10-21
Hazard Note: Hygroscopic/Toxic
TSCA: T
PackingGroup: III
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media: Use agent most appropriate to extinguish fire.
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Store Trifluoroethylamine hydrochloride (CAS NO.373-88-6) in a cool, dry place. Keep container closed when not in use.