摘要: The infrared (3650–50 cm1) and Raman spectra for the fifteen compounds, o-, m- or p-XC6H4NO2; X = CH3, F, Cl, Br, or I are presented and interpreted in detail, and the vibrations associated with the NO2 group are identified....
PURPOSE:To obtain nitrobenzene in high catalytic activity in improved reaction selectivity in high yield, by nitrating benzene with NO2 or N2O4 in the presence of a metal oxide catalyst containing a metal sulfate or sulfate group in gaseous phase. CONSTITUTION:A metal sulfate- or sulfate group-...
(2) with concentrated HNO3, to form nitrobenzene, C6H5NO2; 1,3- dinitrobenzene, C6H4(NO2)2 (1,3), 1,3,5-trinitrobenzene, C6H3(NO2)3 (1,3,5); (3) with concentrated H2SO4, to form benzene sulfonic acid, C6H5SO3H, benzene disulfonic acid, C6H4(SO3H)2(1,3), benzene ...
Aniline: This is also known as aminobenzene and has an amino group (-NH2) attached to one of the carbon atoms in the benzene ring. Aniline is used in the production of dyes, rubber, and pharmaceuticals. Nitrobenzene: This has a nitro group (-NO2) attached to one of the carbon atoms ...
substituted and para-substituted benzene (substituents: NMe2, NHMe, NH2, NHOH, OH, OMe, Br, Cl, F, Me, CCH, CF3, CONH2, COMe, CHO, NO2, NO, and CN) have been performed at the density functional theory level by using Becke hybrid B3LYP functional with 6-311++G(d,p) basis ...
Ab initio investigation of internal rotation in conjugated molecules and the orientation of NO2 in nitroaromatics: nitrobenzene, o-monofluoro- and o,o′-di... Calculation of the barriers and associated one-dimensional torsional potential are performed for internal rotation of the nitro group in nit...
Based on the frequencies scaled by 0.96 and the principle of statistic thermodynamics, the thermodynamic properties were evaluated, which are linearly related with the number of nitro and methyl groups as well as the temperature, obviously showing good group additivity. 展开 ...
respectively. The results also indicate that C6H7 reacts with NO2, with a relative rate coefficient k(C6H7 + NO 2)/k(C6H7 + O2) = (1.8 ± 0.5) × 105, and that this partially forms benzene, with a branching ratio of (27 ± 7)%. The stoichiometry and products of the NO2 ...
It provides vapor-liquid equilibrium data for State: Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1: CH3NO2 Nitromethane [75-52-5], liquid in equilibrium with vapor Pure component 2: C6H6 Benzene [71-43-2], liquid in ...
Its basic structure consists of a benzene ring with a nitro group (-NO2) and a sulfonic acid group (-SO3H) attached to it. This compound is highly soluble in water, forming a clear solution. It has a melting point of approximately 180-182°C and a boiling point of around 360-365°C...