2-(4-nitrophenyl)-1,3-dioxolane

The 1,3-Dioxolane,2-(4-nitrophenyl)-, with the CAS registry number 2403-53-4, is also known as 1,3-Dioxolane, 2-(p-nitrophenyl)-. This chemical's molecular formula is C₉H₉NO₄ and molecular weight is 195.1721. What's more, both its IUPAC name and systematic name are the same which is 2-(4-Nitrophenyl)-1,3-dioxolane.

Physical properties about 1,3-Dioxolane,2-(4-nitrophenyl)- are: (1)ACD/LogP: 1.36; (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: 64.28 Ų; (7)Index of Refraction: 1.568; (8)Molar Refractivity: 48.03 cm³; (9)Molar Volume: 146.8 cm³; (10)Polarizability: 19.04×10^-24 cm³; (11)Surface Tension: 54.1 dyne/cm; (12)Density: 1.329 g/cm³; (13)Flash Point: 164.7 °C; (14)Enthalpy of Vaporization: 55.29 kJ/mol; (15)Boiling Point: 332.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000273 mmHg at 25 °C.

Preparation of 1,3-Dioxolane,2-(4-nitrophenyl)-: this chemical can be prepared by 4-Nitro-benzaldehyde and Ethane-1,2-diol. This reaction needs reagent pTSA and solvent Toluene at the condition of heating for 2 hours. The yield is 98%.

Use of 1,3-Dioxolane,2-(4-nitrophenyl)-: it is used to produce other chemicals. For example, it is used to produce 4-[1,3]Dioxolan-2-yl-aniline. The reaction occurs with reagent H₂ and solvent Tetrahydrofuran. The yield is 100%.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)C2OCCO2
(2) InChI: InChI=1/C9H9NO4/c11-10(12)8-3-1-7(2-4-8)9-13-5-6-14-9/h1-4,9H,5-6H2
(3) InChIKey: RIXYVXYKLYQCSM-UHFFFAOYAA