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| CAS No.: | 84839-95-2 |
|---|---|
| Name: | 8-Bromo-6-methylquinoline |
| Molecular Structure: | |
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| Formula: | C10H8BrN |
| Molecular Weight: | 222.084 |
| Synonyms: | 8-Bromo-6-methylquinoline; |
| EINECS: | -0 |
| Density: | 1.488 g/cm3 |
| Melting Point: | 51 °C |
| Boiling Point: | 313.981 °C at 760 mmHg |
| Flash Point: | 143.691 °C |
| PSA: | 12.89000 |
| LogP: | 3.30570 |
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Specification
The 8-Bromo-6-methylquinoline with its cas register number is 84839-95-2. It also can be called as Quinoline,8-bromo-6-methyl- and the Systematic name about this chemical is 8-bromo-6-methylquinoline.
Physical properties about 8-Bromo-6-methylquinoline are: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 195; (5)ACD/BCF (pH 7.4): 195; (6)ACD/KOC (pH 5.5): 1514; (7)ACD/KOC (pH 7.4): 1516; (8)#H bond acceptors: 1; (9) Polar Surface Area: 12.89Å2;(10)Index of Refraction: 1.654; (11)Molar Refractivity: 54.702 cm3; (12)Molar Volume: 149.233 cm3; (13)Polarizability: 21.685x10-24cm3; (14)Surface Tension: 48.29 dyne/cm; (15)Enthalpy of Vaporization: 53.298 kJ/mol; (16)Vapour Pressure: 0.001 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(C)cc2cccnc12
(2)InChI: InChI=1/C10H8BrN/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h2-6H,1H3
(3)InChIKey: ONJNEQXRWAWITH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H8BrN/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h2-6H,1H3
(5)Std. InChIKey: ONJNEQXRWAWITH-UHFFFAOYSA-N