Basic information
- Name:
Quinoline,4-bromo-8-methyl-
- CAS No.:
36075-68-0
- Molecular Structure:
- Formula:
- C10H8BrN
- Molecular Weight:
- 222.08
- Synonyms:
- 4-Bromo-8-methylquinoline;
- Density:
- 1.488 g/cm3
- Boiling Point:
- 313 °C at 760 mmHg
- Flash Point:
- 143.1 °C
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Specification
The Quinoline,4-bromo-8-methyl-, its CAS registry number is 36075-68-0. This chemical's molecular formula is C10H8BrN and molecular weight is 222.08. What's more, its systematic name is 4-Bromo-8-methylquinoline.
Physical properties of Quinoline,4-bromo-8-methyl- are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.32; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.654; (10)Molar Refractivity: 54.7 cm3; (11)Molar Volume: 149.2 cm3; (12)Polarizability: 21.68×10-24 cm3; (13)Surface Tension: 48.2 dyne/cm; (14)Density: 1.488 g/cm3; (15)Flash Point: 143.1 °C; (16)Enthalpy of Vaporization: 53.19 kJ/mol; (17)Boiling Point: 313 °C at 760 mmHg; (18)Vapour Pressure: 0.000941 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc2c1nccc2Br
(2)InChI: InChI=1/C10H8BrN/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-6H,1H3
(3)InChIKey: IDGLXERCZWXTCV-UHFFFAOYAH