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| CAS No.: | 59108-43-9 |
|---|---|
| Name: | 8-BROMO-2-(TRIFLUOROMETHYL)QUINOLIN-4-OL |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C10H5BrF3NO |
| Molecular Weight: | 292.055 |
| Synonyms: | 8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one |
| Density: | 1.724 g/cm3 |
| Melting Point: | 136 °C |
| Boiling Point: | 275.5 °C at 760 mmHg |
| Flash Point: | 120.4 °C |
| PSA: | 33.12000 |
| LogP: | 3.72170 |
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- Total:26 Page 1 of 1 1
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Specification
The 4-Quinolinol, 8-bromo-2-(trifluoromethyl)-, with the CAS registry number of 59108-43-9, is also known as 8-Bromo-2-(trifluoromethyl)quinolin-4-ol. This chemical's molecular formula is C10H5BrF3NO and molecular weight is 292.05. What's more, its systematic name is called 8-Bromo-2-(trifluoromethyl)quinolin-4(1H)-one.
Physical properties about 4-Quinolinol, 8-bromo-2-(trifluoromethyl)- are: (1)ACD/LogP: 4.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.69; (4)ACD/LogD (pH 7.4): 3.75; (5)ACD/BCF (pH 5.5): 2112.77; (6)ACD/BCF (pH 7.4): 239.44; (7)ACD/KOC (pH 5.5): 8097.81; (8)ACD/KOC (pH 7.4): 917.74; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 53.98 cm3; (15)Molar Volume: 169.3 cm3; (16)Surface Tension: 39.5 dyne/cm; (17)Density: 1.724 g/cm3; (18)Flash Point: 120.4 °C; (19)Enthalpy of Vaporization: 51.4 kJ/mol; (20)Boiling Point: 275.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00507 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C\2=C\C(=O)c1c(c(Br)ccc1)N/2
(2) InChI: InChI=1/C10H5BrF3NO/c11-6-3-1-2-5-7(16)4-8(10(12,13)14)15-9(5)6/h1-4H,(H,15,16)
(3) InChIKey: WVDMDQACCBVSTK-UHFFFAOYAV