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| CAS No.: | 357-83-5 |
|---|---|
| Name: | (2-CHLORO-1,1,2-TRIFLUOROETHYL)DIETHYLAMINE |
| Molecular Structure: | |
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| Formula: | C6H11ClF3N |
| Molecular Weight: | 189.608 |
| Synonyms: | Triethylamine,2-chloro-1,1,2-trifluoro- (6CI,7CI,8CI);(1,1,2-Trifluoro-2-chloro)triethylamine;1-Diethylamino-1,1-difluoro-2-chloro-2-fluoroethane;2-Chloro-1,1,2-trifluoroethyldiethylamine;2-Chloro-1,1,2-trifluorotriethylamine;2-Chloro-N,N-diethyl-1,1,2-trifluoroethylamine;N-(1,1,2-Trifluoro-2-chloroethyl)diethylamine;N-(2-Chloro-1,1,2-trifluoroethyl)diethylamine;N-(2-Chloro-2-fluoro-1,1-difluoroethyl)diethylamine;Reagents, Yarovenko's;Yarovenko's reagent;Ethanamine,2-chloro-N,N-diethyl-1,1,2-trifluoro-; |
| EINECS: | -0 |
| Density: | 1.163 g/cm3 |
| Boiling Point: | 109.8 °C at 760 mmHg |
| Flash Point: | 20.2 °C |
| Appearance: | Clear brown liquid |
| Hazard Symbols: |
 C
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39-45 |
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Specification
The N,N-Diethyl(2-chloro-1,1,2-trifluoroethyl)amine, with the CAS registry number 357-83-5, is also known as 2-Chloro-1,1,2-trifluoroethyldiethylamine. This chemical's molecular formula is C6H11ClF3N and molecular weight is 189.61. What's more, its systematic name is 2-chloro-N,N-diethyl-1,1,2-trifluoroethanamine.
Physical properties of N,N-Diethyl(2-chloro-1,1,2-trifluoroethyl)amine are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/BCF (pH 5.5): 81.98; (5)ACD/BCF (pH 7.4): 81.99; (6)ACD/KOC (pH 5.5): 815.56; (7)ACD/KOC (pH 7.4): 815.61; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.392; (13)Molar Refractivity: 38.83 cm3; (14)Molar Volume: 162.9 cm3; (15)Surface Tension: 22.7 dyne/cm; (16)Density: 1.163 g/cm3; (17)Flash Point: 20.2 °C; (18)Enthalpy of Vaporization: 34.85 kJ/mol; (19)Boiling Point: 109.8 °C at 760 mmHg; (20)Vapour Pressure: 24.4 mmHg at 25°C.
Preparation: this chemical can be prepared by diethylamine, chloro-trifluoro-ethene at the temperature of -5 - 10 °C. This reaction time is 5 hours. The yield is about 44%.
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Uses of N,N-Diethyl(2-chloro-1,1,2-trifluoroethyl)amine: it can be used to produce N,N-diethyl-2,2-difluoro-acetamide. It will need reagent H2O, triethylamine and solvent dimethylsulfoxide with the reaction time of 13.5 hours. The yield is about 84.8%.
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When you are using this chemical, please be cautious about it as the following:
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. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(N(CC)CC)C(Cl)F
(2)InChI: InChI=1S/C6H11ClF3N/c1-3-11(4-2)6(9,10)5(7)8/h5H,3-4H2,1-2H3
(3)InChIKey: BDZHKUAKSMWSAJ-UHFFFAOYSA-N