Description

5-Nitroisophthalic Acid (CAS No. 618-88-2) is a high-purity aromatic dicarboxylic acid derivative with the molecular formula C₈H₅NO₆. This compound, also known by its IUPAC name 5-nitrobenzene-1,3-dicarboxylic acid, features a nitro group at the 5-position of the benzene ring, enhancing its reactivity for electrophilic substitutions and metal coordination. With a molecular weight of 211.13 g/mol, it is a crystalline solid suitable for advanced organic synthesis, polymer modification, and ligand design. Ideal for researchers, this product is rigorously tested for purity (typically ≥98% by HPLC) and is available in precise quantities to ensure reproducibility in pharmaceutical intermediates, coordination polymers, and specialty material applications. Packaged under inert conditions to ensure stability.

Properties

• CAS Number: 618-88-2
• Complexity: 274
• IUPAC Name: 5-nitrobenzene-1,3-dicarboxylic acid
• 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)
• InChI Key: NBDAHKQJXVLAID-UHFFFAOYSA-N
• Exact Mass: 211.01168688
• Molecular Formula: C8H5NO6
• Molecular Weight: 211.13
• SMILES: C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
• Topological: 120
• Monoisotopic Mass: 211.01168688
• Synonyms: 5-Nitroisophthalic acid, 5-Nitrobenzene-1,3-dicarboxylic acid, 5-Nitro-1,3-benzenedicarboxylic acid, 5-NITRO-M-PHTHALIC ACID, Isophthalic acid, 5-nitro-, 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-Nitrobenzene-3,5-dicarboxylic acid, UNII-G7RZ7LC76U, G7RZ7LC76U, NSC 66545, DTXSID7041540, EINECS 210-568-3, NSC-66545, DTXCID5021540, NBDAHKQJXVLAID-UHFFFAOYSA-, EC 210-568-3, GLYCOPYRRONIUM BROMIDE IMPURITY O [EP IMPURITY], GLYCOPYRRONIUM BROMIDE IMPURITY O (EP IMPURITY), Isophthalic acid, 5-nitro-(8CI), 210-568-3, 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), nbdahkqjxvlaid-uhfffaoysa-n, 618-88-2, MFCD00007254, 5-nitroisophtalic acid, 5-Nitroisophthalicacid, 5-Nitro-1,3-benzenedicarboxylic acid; 1-Nitrobenzene-3,5-dicarboxylic acid; 5-Nitro-m-phthalic acid; 5-Nitroisophthalic acid; NSC 66545, 5-nitroisopthalic acid, 5-nitro-isophthalic acid, SCHEMBL232779, 5-Nitroisophthalic acid, 98%, CHEMBL2179899, SCHEMBL19245496, BCP31127, NSC66545, Tox21_300768, SBB063356, STK498488, AKOS000283439, AC-8407, FN62858, NCGC00248162-01, NCGC00254672-01, AS-11792, CAS-618-88-2, CS-0020271, N0520, NS00001706, ST51038615, E80888, EN300-136844, Q27278901, 5-Nitroisophthalic acid, Vetec(TM) reagent grade, 98%, F8881-4399, Z276653386, Isophthalic acid, 5-nitro-;5-Nitro-1,3-benzenedicarboxylic acid

Application

5-Nitroisophthalic acid serves as a versatile building block in organic synthesis, particularly in the preparation of metal-organic frameworks (MOFs) due to its rigid dicarboxylate structure. It is used as a precursor for high-performance polymers and dyes, where the nitro group facilitates further functionalization. Researchers also employ it in catalytic studies and as a ligand in coordination chemistry for designing functional materials.

Safety and Hazards

GHS Hazard Statements

• H315 (88.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (91.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (88.5%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (91.2%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.