Description

1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1) (CAS No. 6946-22-1) is a high-purity organic compound with the molecular formula C₈H₈ClNO₄. This derivative of phthalic acid features an amino group at the 3-position and is supplied as a hydrochloride salt for enhanced stability and solubility. With a molecular weight of 217.61 g/mol, this white to off-white crystalline powder is ideal for pharmaceutical synthesis, chemical research, and material science applications. Its high purity (>98%) ensures reliable performance in coupling reactions, peptide synthesis, and as a building block for advanced organic frameworks. Packaged under inert conditions to prevent degradation, this compound is rigorously tested for quality and consistency, making it a trusted choice for researchers and industrial chemists.

Properties

• CAS Number: 6946-22-1
• Complexity: 228
• IUPAC Name: 3-aminophthalic acid;hydrochloride
• InChI: InChI=1S/C8H7NO4.ClH/c9-5-3-1-2-4(7(10)11)6(5)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);1H
• InChI Key: ZBZAVEORKXFUQB-UHFFFAOYSA-N
• Exact Mass: 217.0141854
• Molecular Formula: C8H8ClNO4
• Molecular Weight: 217.60
• SMILES: C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.Cl
• Topological: 101
• Monoisotopic Mass: 217.0141854
• Physical Description: White to off-white solid;
• Synonyms: 6946-22-1, 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride, EINECS 230-106-4, NSC 56716, NSC 127008, Phthalic acid, 3-amino-, hydrochloride, DTXSID3064514, 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1), DTXCID0046513, 3-Aminophthalic acid hydrochloride, 3-aminophthalic acid;hydrochloride, 3-Aminophthalic acid, HCl, Phthalic acid, hydrochloride, 1, 3-amino-, hydrochloride, 3-Aminobenzene-1,2-dicarboxylic acid hydrochloride, ghl.PD_Mitscher_leg0.1315, 3-Aminophthalicacidhydrochloride, SCHEMBL2285638, 3-amino phthalic acid hydrochloride, BCP13262, NSC56716, MFCD00017644, NSC-56716, NSC127008, AKOS005217022, FA29862, NSC-127008, AC-30415, DS-15972, DB-022270, CS-0040845, NS00080653, EN300-7392923

This compound serves as a versatile intermediate in organic synthesis, particularly for the preparation of dyes, pigments, and pharmaceutical active ingredients. It is used in the development of fluorescent probes due to its aromatic and amino-functionalized structure. Researchers also employ it in coordination chemistry to synthesize metal-organic frameworks (MOFs) and other advanced materials.

Safety and Hazards

GHS Hazard Statements

• H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (11.4%): 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 (88.6%)
• Skin Irrit. 2 (11.4%)
• Eye Irrit. 2A (11.4%)
• STOT SE 3 (11.4%)

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