Quinoline,6-chloro-5-nitro- (86984-32-9)

The 6-Chloro-5-nitroquinoline, with the cas registry number 86984-32-9, is also called 5-Nitro-6-chloroquinoline. And the molecular formula of the chemical is C₉H₅ClN₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 32.84; (6)ACD/BCF (pH 7.4): 32.85; (7)ACD/KOC (pH 5.5): 423.63; (8)ACD/KOC (pH 7.4): 423.77; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å²; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 53.62 cm³; (15)Molar Volume: 140.5 cm³; (16)Polarizability: 21.25×10^-24cm³; (17)Surface Tension: 63.3 dyne/cm; (18)Density: 1.484 g/cm³; (19)Flash Point: 169.5 °C; (20)Enthalpy of Vaporization: 57.83 kJ/mol; (21)Boiling Point: 356.7 °C at 760 mmHg; (22)Vapour Pressure: 5.9E-05 mmHg at 25°C.

Uses of 6-Chloro-5-nitroquinoline: It can react with methylhydrazine to produce 2-methyl-2H-[1,2,3]triazolo[4,5-f]quinoline 1-oxide and 3-methyl-3H-[1,2,3]triazolo[4,5-f]quinoline 1-oxide. This reaction will need menstruum ethanol. The reaction time is 4 hour with temperature of 160°C, and the yield is about 8%.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1c(Cl)ccc2ncccc12
(2)InChI: InChI=1/C9H5ClN2O2/c10-7-3-4-8-6(2-1-5-11-8)9(7)12(13)14/h1-5H
(3)InChIKey: GIMHFTJFCRTQRS-UHFFFAOYAH