4-N-BUTOXYNITROBENZENE

The Benzene,1-butoxy-4-nitro-, with the CAS registry number 7244-78-2, is also known as p-Butoxynitrobenzene. This chemical's molecular formula is C₁₀H₁₃NO₃ and molecular weight is 195.22. What's more, its systematic name is 1-Butoxy-4-nitrobenzene.

Physical properties of Benzene,1-butoxy-4-nitro- are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 334.41; (6) ACD/BCF (pH 7.4): 334.41; (7)ACD/KOC (pH 5.5): 2230.92; (8)ACD/KOC (pH 7.4): 2230.92; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.05Ų; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 53.37 cm³; (15)Molar Volume: 174.7 cm³; (16)Polarizability: 21.15×10^-24cm³; (17)Surface Tension: 39.7 dyne/cm; (18)Density: 1.116 g/cm³; (19)Flash Point: 135.5 °C; (20)Enthalpy of Vaporization: 52.68 kJ/mol; (21)Boiling Point: 308 °C at 760 mmHg; (22)Vapour Pressure: 0.00127 mmHg at 25°C.

Preparation: this chemical can be prepared by1-bromo-butane and 4-nitro-phenol under the heating condition. This reaction will need reagent potassium carbonate and solvent acetone with the reaction time of 40 hours. The yield is about 98%.

Uses of Benzene,1-butoxy-4-nitro-: it can be used to produce 4-butoxy-aniline under the heating condition. It will need reagent N₂H₄ and solvent ethanol with the reaction time of 3 hours.

When you are using this chemical, please be cautious about it as the following:
It may cause inflammation to the skin or other mucous membranes.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(OCCCC)cc1
(2)Std. InChI: InChI=1S/C10H13NO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3
(3)Std. InChIKey: XCCDVVZINDJESR-UHFFFAOYSA-N