A new brucinium 4-methyl-3-nitrobenzoate 0.5 hydrate (B4M3NB0.5H) NLO single crystal was harvested from saturated solution by solvent evaporation method. Crystal system and symmetric type of B4M3NB0.5H compound were analyzed by structure analysis. Linear optical parameters of title compound were discussed in detail by UV-visible analysis. Lifetime values of the molecule were quantified by fluorescence study, and it confirms the good crystalline perfection of the grown crystal. The SHG efficiency is 5.11 times superior to the KDP material. By utilizing Nd:YAG laser as an input, SLDT measurement of the crystal was done. The grown crystal has good crystalline nature which is analyzed by HRXRD study. Dielectric behavior of B4M3NB0.5H crystal was discussed in detail. With the help of theoretical approach, few of the solid-state parameters were calculated and listed. Piezoelectric charge coefficient and piezovoltage were calculated to be 4.5 p C/N and 0.0417 p V m/N, respectively. The TGA and DTA spectrum confirms that the title compound is thermally stable up to 101 degrees C.