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| CAS No.: | 176967-80-9 |
|---|---|
| Name: | 5-Bromo-8-nitroquinoline |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C9H5BrN2O2 |
| Molecular Weight: | 253.055 |
| Synonyms: | 5-Bromo-8-nitro-quinoline;quinoline, 5-bromo-8-nitro- |
| Density: | 1.747 g/cm3 |
| Boiling Point: | 370.5 °C at 760 mmHg |
| Flash Point: | 177.9 °C |
| PSA: | 58.71000 |
| LogP: | 3.42870 |
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Specification
The 5-Bromo-8-nitroquinoline is an organic compound with the formula C9H5BrN2O2. The systematic name of this chemical is 5-bromo-8-nitroquinoline. With the CAS registry number 176967-80-9, it is also named as quinoline, 5-bromo-8-nitro-.
Physical properties about 5-Bromo-8-nitroquinoline are: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): 2.07; (3)ACD/LogD (pH 7.4): 2.07; (4)ACD/BCF (pH 5.5): 22.06; (5)ACD/BCF (pH 7.4): 22.06; (6)ACD/KOC (pH 5.5): 318.67; (7)ACD/KOC (pH 7.4): 318.68; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 58.71 Å2; (11)Index of Refraction: 1.707; (12)Molar Refractivity: 56.42 cm3; (13)Molar Volume: 144.7 cm3; (14)Polarizability: 22.36×10-24cm3; (15)Surface Tension: 65 dyne/cm; (16)Density: 1.747 g/cm3; (17)Flash Point: 177.9 °C; (18)Enthalpy of Vaporization: 59.31 kJ/mol; (19)Boiling Point: 370.5 °C at 760 mmHg; (20)Vapour Pressure: 2.35E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(Br)c2cccnc12
(2)InChI: InChI=1/C9H5BrN2O2/c10-7-3-4-8(12(13)14)9-6(7)2-1-5-11-9/h1-5H
(3)InChIKey: FELNBLNDYLAJLB-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H5BrN2O2/c10-7-3-4-8(12(13)14)9-6(7)2-1-5-11-9/h1-5H
(5)Std. InChIKey: FELNBLNDYLAJLB-UHFFFAOYSA-N