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| CAS No.: | 89446-67-3 |
|---|---|
| Name: | 4-BROMO-7-TRIFLUOROMETHYLQUINOLINE |
| Molecular Structure: | |
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| Formula: | C10H5BrF3N |
| Molecular Weight: | 276.056 |
| Synonyms: | 4-Bromo-7-trifluoromethylquinoline; |
| Density: | 1.658 g/cm3 |
| Boiling Point: | 301.3 °C at 760 mmHg |
| Flash Point: | 136 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 12.89000 |
| LogP: | 4.01610 |
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- Total:23 Page 1 of 1 1
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Specification
The 4-Bromo-7-trifluoromethylquinoline with the cas number 89446-67-3 is also called Quinoline,4-bromo-7-(trifluoromethyl)-. Its molecular formula is C10H5BrF3N. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 375.78; (6)ACD/BCF (pH 7.4): 375.79; (7)ACD/KOC (pH 5.5): 2425.13; (8)ACD/KOC (pH 7.4): 2425.21; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 54.85 cm3; (15)Molar Volume: 166.4 cm3; (16)Polarizability: 21.74×10-24cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Enthalpy of Vaporization: 51.98 kJ/mol; (19)Vapour Pressure: 0.00189 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc2nccc(Br)c2cc1
(2)InChI: InChI=1/C10H5BrF3N/c11-8-3-4-15-9-5-6(10(12,13)14)1-2-7(8)9/h1-5H
(3)InChIKey: GVRZSGYZKGTTDG-UHFFFAOYAG