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| CAS No.: | 158388-49-9 |
|---|---|
| Name: | 2,2,2-TRIFLUORO-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHYLAMINE |
| Molecular Structure: | |
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| Formula: | C9H7F6N |
| Molecular Weight: | 243.15 |
| Synonyms: | 2,2,2-TRIFLUORO-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHYLAMINE;Benzenemethanamine, .alpha.,4-bis(trifluoromethyl)-;BenzeneMethanaMine, a,4-bis(trifluoroMethyl)-;2,2,2-Trifluoro-1-(4-(trifluoroMethyl)phenyl)ethanaMine |
| Density: | 1.377 g/cm3 |
| Boiling Point: | 216.4 °C at 760 mmHg |
| Flash Point: | 92.2 °C |
| PSA: | 26.02000 |
| LogP: | 3.96780 |
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Specification
The 2,2,2-Trifluoro-1-(4-trifluoromethylphenyl)ethylamine, with the CAS registry number 158388-49-9, is also called Benzenemethanamine, α,4-bis(trifluoromethyl)-. It belongs to the product categories of Amines and Anilines. And the molecular formula of the chemical is C9H7F6N.
The characteristics of 2,2,2-Trifluoro-1-(4-trifluoromethylphenyl)ethylamine are as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.53; (5)#H bond acceptors: 1; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 26.02 Å2; (9)Index of Refraction: 1.42; (10)Molar Refractivity: 44.77 cm3; (11)Molar Volume: 176.5 cm3; (12)Polarizability: 17.75×10-24cm3; (13)Surface Tension: 24.3 dyne/cm; (14)Density: 1.377 g/cm3; (15)Flash Point: 92.2 °C; (16)Enthalpy of Vaporization: 45.28 kJ/mol; (17)Boiling Point: 216.4 °C at 760 mmHg; (18)Vapour Pressure: 0.14 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(ccc1C(C(F)(F)F)N)C(F)(F)F
(2)InChI: InChI=1/C9H7F6N/c10-8(11,12)6-3-1-5(2-4-6)7(16)9(13,14)15/h1-4,7H,16H2
(3)InChIKey: MSVVDWREITXLOD-UHFFFAOYAP