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The 4-Quinolinol, 3-nitro-, with the CAS registry number 50332-66-6, is also known as 3-Nitro-4-quinolinol. It belongs to the product categories of Pharmacetical; Heterocyclic Compounds; Heterocycles. This chemical's molecular formula is C9H6N2O3 and molecular weight is 190.16. What's more, its systematic name is 3-Nitroquinolin-4(1H)-one.
Physical properties of 4-Quinolinol, 3-nitro- are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.96; (8)ACD/KOC (pH 7.4): 1.35; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 48.08 cm3; (15)Molar Volume: 130.5 cm3; (16)Polarizability: 19.06×10-24 cm3; (17)Surface Tension: 63.5 dyne/cm; (18)Density: 1.45 g/cm3; (19)Flash Point: 142.7 °C; (20)Enthalpy of Vaporization: 55.33 kJ/mol; (21)Boiling Point: 312.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000534 mmHg at 25°C.
Uses of 4-Quinolinol, 3-nitro-: it can be used to produce 4-chloro-3-nitro-quinoline by heating. It will need reagent POCl3 with the reaction time of 0.5 hour. The yield is about 89%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-]
(2)InChI: InChI=1S/C9H6N2O3/c12-9-6-3-1-2-4-7(6)10-5-8(9)11(13)14/h1-5H,(H,10,12)
(3)InChIKey: ZWISCKSGNCMAQO-UHFFFAOYSA-N