The IUPAC name of 5-Nitroisophthalic acid is 5-nitrobenzene-1,3-dicarboxylic acid. With the CAS registry number 618-88-2, it is also named as 5-Nitro-m-phthalic acid. The product's categories are Phthalic Acids, Esters and Derivatives; Organic Acids. Besides, it is light cream crystalline powder, which should be stored in closed, dark, dry and ventilated place at 2-10 °C. In addition, its molecular formula is C₈H₅NO₆ and molecular weight is 211.13.

The other characteristics of this product can be summarized as: (1)EINECS: 210-568-3; (2)ACD/LogP: 1.79; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -2.09; (5)ACD/LogD (pH 7.4): -2.36; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 7; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 3; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 46.65 cm³; (15)Molar Volume: 126.3 cm³; (16)Surface Tension: 88 dyne/cm; (17)Density: 1.671 g/cm³; (18)Flash Point: 213.9 °C; (19)Melting point: 260-264 °C; (20)Enthalpy of Vaporization: 77.63 kJ/mol; (21)Boiling Point: 473.7 °C at 760 mmHg; (22)Vapour Pressure: 8.85E-10 mmHg at 25 °C.

Preparation of 5-Nitroisophthalic acid: this chemical can be prepared by the Nitration of m-Phthalic acid and fuming Nitric acid. This reaction will occur by heat for 6 hours. Then you should filtrate it after cooling and crystallization. At last, you will obtain this chemical by recrystallization afer washing.

Uses of 5-Nitroisophthalic acid: this chmical can be used to produce 2,6-Dicyano-4-nitroaniline which is and intermediate of disperse dyes. It is also used as an intermediate of X-ray contrast medium, pesticides, dyes and pigments. Similarly, it is used to produce 2,4-Dicyanonitrobenzene.



This reaction needs p-toluenesulfonamide and PCl₅ at temperature of 200-205 °C for 30 min. The yield is 56 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. Limited evidence of a carcinogenic effect. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing. Moreover, please do not breathe dust.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=[N+]([O-])c1cc(cc(C(=O)O)c1)C(=O)O
(2)InChI: InChI=1/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
(3)InChIKey: NBDAHKQJXVLAID-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
(5)Std. InChIKey: NBDAHKQJXVLAID-UHFFFAOYSA-N