Ethane,1,1-diethoxy-2-nitro- (34560-16-2)

The Nitroacetaldehyde diethyl acetal, with cas registry number 34560-16-2, has the systematic name of 1,1-diethoxy-2-nitroethane. Besides this, it is also called ethane, 1,1-diethoxy-2-nitro-. And the chemical formula of this chemical is C₆H₁₃NO₄.

Physical properties about this chemical are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 64.28 Å²; (7)Index of Refraction: 1.425; (8)Molar Refractivity: 39.31 cm³; (9)Molar Volume: 153.4 cm³; (10)Polarizability: 15.58×10^-24cm³; (11)Surface Tension: 32.4 dyne/cm; (12)Enthalpy of Vaporization: 44.28 kJ/mol; (13)Vapour Pressure: 0.236 mmHg at 25°C.

Preparation: this chemical can be prepared by triethoxymethane and nitromethane. This reaction will need reagent ZnCl₂. The yield is about 49%.

Uses of Nitroacetaldehyde diethyl acetal: it can be used to produce 3-diethoxymethyl-3a,6a-dihydrofuro[2,3-d]isoxazole. This reaction will need reagent diisocyanate, Et₃N. The yield is about 76%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)CC(OCC)OCC
(2)InChI: InChI=1/C6H13NO4/c1-3-10-6(11-4-2)5-7(8)9/h6H,3-5H2,1-2H3
(3)InChIKey: MDYWSMNYPFOQOU-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H13NO4/c1-3-10-6(11-4-2)5-7(8)9/h6H,3-5H2,1-2H3
(5)Std. InChIKey: MDYWSMNYPFOQOU-UHFFFAOYSA-N