6-NITRO-2-PHENYLQUINOXALINE

The Quinoxaline,6-nitro-2-phenyl- has the CAS registry number 71896-99-6. This chemical's molecular formula is C₁₄H₁₄ClFN₈ and molecular weight is 251.24. What's more, its systematic name is 6-nitro-2-phenylquinoxaline.

Physical properties of Quinoxaline,6-nitro-2-phenyl- are: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 71.6 Å²; (7)Index of Refraction: 1.688; (8)Molar Refractivity: 71.41 cm³; (9)Molar Volume: 187.1 cm³; (10)Polarizability: 28.31×10^-24cm³; (11)Surface Tension: 63.5 dyne/cm; (12)Density: 1.342 g/cm³; (13)Flash Point: 222.9 °C; (14)Enthalpy of Vaporization: 67.58 kJ/mol; (15)Boiling Point: 444.9 °C at 760 mmHg; (16)Vapour Pressure: 1.08E-07 mmHg at 25°C.

Preparation of Quinoxaline,6-nitro-2-phenyl-: this chemical can be prepared by 4-nitro-benzene-1,2-diamine, 2-methanesulfinyl-2-methylsulfanyl-1-phenyl-ethanone by heating. This reaction will need reagent acetic acid and solvent benzene with the reaction time of 2 hours. The yield is about 62%.

Uses of Quinoxaline,6-nitro-2-phenyl-: it can be used to produce 6-nitro-2-phenylquinoxaline 4-oxide at the ambient temperature. It will need reagent m-chloroperoxybenzoic acid and solvent CH₂Cl₂ with the reaction time of 14 hours. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2nc(cnc2c1)c3ccccc3
(2)InChI: InChI=1S/C14H9N3O2/c18-17(19)11-6-7-12-13(8-11)15-9-14(16-12)10-4-2-1-3-5-10/h1-9H
(3)InChIKey: NVCVIJFCPOXHQI-UHFFFAOYSA-N