Description

5-Aminoisophthalic acid (CAS No. 99-31-0) is a high-purity aromatic dicarboxylic acid derivative with the molecular formula C₈H₇NO₄. This white to off-white crystalline powder is an essential building block in organic synthesis, particularly for the preparation of advanced polymers, metal-organic frameworks (MOFs), and pharmaceutical intermediates. With an IUPAC name of 5-aminobenzene-1,3-dicarboxylic acid, this compound features both carboxylic acid and amine functional groups on a benzene ring, enabling versatile reactivity in condensation reactions and coordination chemistry. Our product is rigorously tested to ensure ≥98% purity (HPLC) with low heavy metal content, making it ideal for sensitive applications. Available in research quantities up to bulk scale, it is supplied with full analytical documentation including ¹H NMR, HPLC chromatograms, and MSDS.

Properties

• CAS Number: 99-31-0
• Complexity: 206
• IUPAC Name: 5-aminobenzene-1,3-dicarboxylic acid
• InChI: InChI=1S/C8H7NO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
• InChI Key: KBZFDRWPMZESDI-UHFFFAOYSA-N
• Exact Mass: 181.03750770
• Molecular Formula: C8H7NO4
• Molecular Weight: 181.15
• SMILES: C1=C(C=C(C=C1C(=O)O)N)C(=O)O
• Topological: 101
• Monoisotopic Mass: 181.03750770
• Physical Description: Light brown powder;
• Synonyms: 5-Aminoisophthalic acid, 99-31-0, 5-Aminobenzene-1,3-dicarboxylic acid, 1,3-Benzenedicarboxylic acid, 5-amino-, Isophthalic acid, 5-amino-, 5R25Y7Y34D, 5-AMINO-1,3-BENZENEDICARBOXYLIC ACID, EINECS 202-748-5, NSC 60141, NSC-60141, DTXSID7059193, Isophthalic acid, 5amino, DTXCID5049102, Isophthalic acid, 5amino (8CI), Isophthalic acid, 5-amino-(8CI), 1,3Benzenedicarboxylic acid, 5amino, 202-748-5, MFCD00002522, 5-Aminoisophthalicacid, NSC60141, 5-aminoisophtalic acid, 3,5-dicarboxy-aniline, 5 -aminoisophthalic acid, 5-amino-isophthalic acid, Oprea1_005424, SCHEMBL223304, SCHEMBL344324, UNII-5R25Y7Y34D, 5-Aminoisophthalic acid, 94%, 5-aminobenzene-1,3-dicarboxylate, HMS1775F17, STR06298, BBL013234, SBB064267, STK429341, AKOS000119465, AC-8408, CS-W017170, FA00357, HY-W016454, AC-12230, BP-13444, SY005360, A1290, NS00022923, ST50308594, EN300-16696, D70676, doi:10.14272/KBZFDRWPMZESDI-UHFFFAOYSA-N.1, Z56755834

Application

5-Aminoisophthalic acid serves as a key monomer for synthesizing heat-resistant polyamides and polyimides used in high-performance plastics. In materials science, it acts as a linker for constructing porous MOFs with potential gas storage applications. The compound is also employed in pharmaceutical research as a precursor for active pharmaceutical ingredients (APIs) and fluorescent markers.

Safety and Hazards

GHS Hazard Statements

• H302 (32.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (82%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (96.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (80.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (32.8%)
• Skin Irrit. 2 (82%)
• Eye Irrit. 2A (96.7%)
• STOT SE 3 (80.3%)

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