Methyl nitroaniline

Indazole-2- N has been prepared from 2-methyl-4-nitroaniline and sodium nitrite- N,... 

Figure 2. The molecular structure of 2-methyl-4-nitroaniline (MNA) as determined by x-ray crystallography (2). Key C, carbon N, nitrogen O, oxygen and H, hydrogen.

From these results, As the particular tensor component of DAD molecular crystal is expected to be very high, more than 2-methyl-4-nitroaniline(MNA)(20), it would become one of the most suitable materials of highly efficient optical device for frequency doubler by using phase matching with optical wave guide. Electro-optical properties as well may be interesting. 

B. F. Levine, L. G. Bethea, C. D. Thurmond, R. T. Lynch, and J. L. Bernstein, An organic crystal with an exceptionally large optical second-harmonic coefficient 2-methyl-4-nitroaniline, /. Appl. Phys. 50 2523 (1979). 

Indazole-l- N has been prepared from 2-nitrotoluene- N (Table 37) in 51% yield. Indazole-2- N has been prepared from 2-methyl-4-nitroaniline and sodium nitrite- N, through 5-nitroindazole-2- N, in three steps (overall yield 45%) (81MI40405). 

While gas phase work on the h5q5erpolarizability of small molecules has been relatively free of problems concerned with the definitions of measured quantities and their formal relationship to computed quantities, the same cannot be said about solution studies of rather larger organic species. It is the latter that possess the very large nonlinear response functions that are of greatest interest. The prototype system for such studies has been 4-nitroaniline (pNA) and this review is mainly concerned with the relation between the measurements, in vacuo and in solution, of the hyperpolarizabilities of pNA and the closely related molecule, MNA (2-methyl, 4-nitroaniline) to ab initio and DFT calculations of these quantities. 

C7H6N205 4-methoxy-1,2-dinitrobenzene 4280-28-8 110.00 1.3332 1 10504 C7H7CIN202 6-chloro-2-methyl-4-nitroaniline 69951-02-6 25.00 1.3653 2... 

An ab initio molecular orbital study on 2-methyl-4-nitroaniline (39) pairs in a crystal (which possesses a dimeric form) was conducted in order to ascertain the influence of molecular interaction on its hyperpolarizability of the considered amine. Electrostatic intermolecular interactions were indicated to have a predominant influence on the hyperpolarizability even if no hydrogen bond occurs between molecules86. 

Electronic and Nonlinear Optical Properties of 2-Methyl-4-Nitroaniline Clusters (M. Guillaume, B. Champagne, F. Castet L. Ducasse)... 

For these classes of conjugated molecular and polymer structures, the principal property is that their nonreson-ant, nonlinear optical responses are dominated by ultrafast, virtual excitations of the ir-electron states. This was directly demonstrated by MNA (2-methyl-4-nitroaniline) single crystal measurements of macroscopic second order susceptibilities at do (j 3) and optical frequencies (13-1 ) and combined second harmonic measurements and theo-... 

Allen et al. [11] obtained for of 3-(l,l-dicyanonethenyl)-l-phenyl-4,5-dihydro-l//-pyrazole very good agreement between the measured quantity and the theoretical value calculated by combining this mean-field approximation with semiempirical P results. Typical p or determinations also include the ab initio CPHF (coupled-perturbed Hartree Fock) study of Hamada on 3-aminoxanthone (AX) and 2-methyl-4-nitroaniline (MNA) [12 13] in which... 

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