1,3-Benzenedicarboxylic acid, 4-nitro-


Chemical Name: 1,3-Benzenedicarboxylic acid, 4-nitro-
CAS Number: 4315-09-7
Product Number: AG003LVI(AGN-PC-0KONQ8)
Synonyms:
MDL No:
Molecular Formula: C8H5NO6
Molecular Weight: 211.1284

Identification/Properties


Properties
MP:
258-259 °C
BP:
492.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
211.129g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
211.012g/mol
Monoisotopic Mass:
211.012g/mol
Topological Polar Surface Area:
120A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
296
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Nitroisophthalic acid, also known as 4-nitrobenzene-1,3-dicarboxylic acid, plays a crucial role in chemical synthesis as a versatile building block for the preparation of various organic compounds. This compound exhibits unique properties that make it highly valuable in synthetic chemistry applications.4-Nitroisophthalic acid is commonly used as a precursor in the synthesis of functionalized aromatic compounds. Its reactive functional groups enable the introduction of additional chemical moieties through a variety of reactions, such as esterification, amidation, and reduction. This versatile nature makes it a key intermediate for the production of dyes, polymers, pharmaceuticals, and other specialty chemicals.Furthermore, 4-Nitroisophthalic acid serves as a key starting material for the preparation of metal-organic frameworks (MOFs) and coordination polymers. Its ability to coordinate with metal ions and form stable complexes makes it an important component in the construction of these advanced materials with diverse applications in catalysis, gas storage, and separation processes.In addition, the presence of the nitro group in 4-Nitroisophthalic acid allows for further synthetic manipulations, such as nitro group reduction or substitution reactions, leading to the synthesis of a wide range of structurally varied compounds with tailored properties and functionalities.Overall, the versatile applications of 4-Nitroisophthalic acid in chemical synthesis highlight its significance as a valuable building block in the creation of various organic molecules and materials with diverse industrial and research applications.