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Preferable, third-order nonlinear optical (NLO) single crystal, 3-Nitroanilinium chloride (3NACL) was auspiciously synthesised by slow evaporation technique. The crystal system of synthesised 3NACL crystal is triclinic with centrosymmetric space group was identi ed by single crystal XRD studies. All the functional groups present in the sample and its respective vibrations are analysed through FTIR analysis. UV-Vis transmittance spectrum revealed that the synthesised material was 83% transmittance and it cut-off wavelength was 276nm. The mechanical stability and thermal property of grown 3NACL crystals were ascertained by Vickers micro hardness analysis and TG/DTA analysis. The intermolecular interaction of the 3NACL was scrutinized by Hirshfeld surface analysis. Dielectric studies revealed that dielectric constant and dielectric loss were high at lower frequency region due to the space charge polarization. Inclusion free 3NACL crystal was used to analyse the Laser damage threshold (LDT) studies and its calculated LDT value was 4.3 GW/cm 2 . The third-order NLO parameters (β = 7.5472x10 − 12 m/W, η 2 = 5.6931x10 − 19 m 2 /W, χ 3 = 2.9491x10 − 13 esu) of the 3NACL material was statutory evaluated by Z-scan studied. Here, β and η 2 are positive value due to the saturated absorption and self-focusing effect was observed in open and closed aperture z-scan curve. Above all these ndings 3NACL was suitable material for NLO and optoelectronic applications.