Basic information
- Name:
Quinoline, 8-bromo-4-chloro-2-(trifluoromethyl)-
- CAS No.:
655235-61-3
- Molecular Structure:
- Formula:
- C10H4BrClF3N
- Molecular Weight:
- 310.5
- Synonyms:
- 8-Bromo-4-chloro-2-trifluoromethylquinoline;8-Bromo-4-chloro-2-(trifluoromethyl)quinoline;
- Density:
- 1.74 g/cm3
- Melting Point:
- 71-72 °C
- Boiling Point:
- 291.8 °C at 760 mmHg
- Flash Point:
- 130.3 °C
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Specification
The Quinoline, 8-bromo-4-chloro-2-(trifluoromethyl)-, with the CAS registry number 655235-61-3, is also known as 8-Bromo-4-chloro-2-trifluoromethylquinoline. This chemical's molecular formula is C10H4BrClF3N and molecular weight is 310.5. What's more, its systematic name is 8-Bromo-4-chloro-2-(trifluoromethyl)quinoline.
Physical properties of Quinoline, 8-bromo-4-chloro-2-(trifluoromethyl)- are: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.32; (4)ACD/LogD (pH 7.4): 4.32; (5)ACD/BCF (pH 5.5): 1124.15; (6)ACD/BCF (pH 7.4): 1124.15; (7)ACD/KOC (pH 5.5): 5313.5; (8)ACD/KOC (pH 7.4): 5313.5; (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: 1.584; (14)Molar Refractivity: 59.75 cm3; (15)Molar Volume: 178.4 cm3; (16)Polarizability: 23.68×10-24 cm3; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.74 g/cm3; (19)Flash Point: 130.3 °C; (20)Enthalpy of Vaporization: 51 kJ/mol; (21)Boiling Point: 291.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00333 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1nc2c(Br)cccc2c(Cl)c1
(2)InChI: InChI=1S/C10H4BrClF3N/c11-6-3-1-2-5-7(12)4-8(10(13,14)15)16-9(5)6/h1-4H
(3)InChIKey: KKGSBQKOZKBRKL-UHFFFAOYSA-N