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CAS No.: | 57946-60-8 |
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Name: | 2-(2,2,2-TRIFLUOROETHOXY)ANILINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H8F3NO |
Molecular Weight: | 191.153 |
Synonyms: | 2-(2,2,2-Trifluoroethoxy)aniline;2-(2,2,2-Trifluoroethoxy)benzenamine; |
Density: | 1.286 g/cm3 |
Melting Point: | 49.0 to 53.0 °C |
Boiling Point: | 214.9 °C at 760 mmHg |
Flash Point: | 83.8 °C |
PSA: | 35.25000 |
LogP: | 2.79110 |
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The CAS register number of Benzenamine,2-(2,2,2-trifluoroethoxy)- is 57946-60-8. It also can be called as 2-(2,2,2-Trifluoroethoxy)benzenamine and the systematic name about this chemical is 2-(2,2,2-trifluoroethoxy)aniline. The molecular formula about this chemical is C8H8F3NO and the molecular weight is 191.1504.
Physical properties about Benzenamine,2-(2,2,2-trifluoroethoxy)- are: (1)ACD/LogP: 2.06; (2)ACD/LogD (pH 5.5): 2.05; (3)ACD/LogD (pH 7.4): 2.06; (4)ACD/BCF (pH 5.5): 21.11; (5)ACD/BCF (pH 7.4): 21.51; (6)ACD/KOC (pH 5.5): 307.15; (7)ACD/KOC (pH 7.4): 312.94; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 12.47Å2; (12)Index of Refraction: 1.48; (13)Molar Refractivity: 42.25 cm3; (14)Molar Volume: 148.6 cm3; (15)Polarizability: 16.75x10-24cm3; (16)Surface Tension: 31.8 dyne/cm; (17)Enthalpy of Vaporization: 45.12 kJ/mol; (18)Boiling Point: 214.9 °C at 760 mmHg; (19)Vapour Pressure: 0.152 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)COc1ccccc1N
(2)InChI: InChI=1/C8H8F3NO/c9-8(10,11)5-13-7-4-2-1-3-6(7)12/h1-4H,5,12H2
(3)InChIKey: JIKIVGTUYSNUPQ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-4-2-1-3-6(7)12/h1-4H,5,12H2
(5)Std. InChIKey: JIKIVGTUYSNUPQ-UHFFFAOYSA-N