Description

4,4′-Methylenebis(aniline), compound with sodium chloride (3:1) (CAS No. 21646-20-8) is a high-purity chemical complex with the molecular formula C₃₉H₄₂ClN₆Na. This specialized compound, also known as Chlorotris(4,4′-methylenedianiline) sodium, is synthesized for advanced research and industrial applications. Its unique structure combines three 4,4′-methylenedianiline (MDA) moieties with a sodium chloride unit, offering distinct reactivity and solubility properties. Supplied as a fine powder or crystalline solid with >95% purity (HPLC), it is ideal for polymer chemistry, coordination complexes, and materials science research. Store under inert atmosphere at 2-8°C to prevent degradation. Available in research (1g-100g) and bulk (1kg+) quantities with optional GC/MS or NMR certification.

Properties

• CAS Number: 21646-20-8
• Complexity: 159
• IUPAC Name: sodium;4-[(4-aminophenyl)methyl]aniline;chloride
• InChI: InChI=1S/3C13H14N2.ClH.Na/c3*14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;;/h3*1-8H,9,14-15H2;1H;/q;;;;+1/p-1
• InChI Key: BMMAPAIDGHWULF-UHFFFAOYSA-M
• Exact Mass: 652.3057173
• Molecular Formula: C39H42ClN6Na
• Molecular Weight: 653.2
• SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.[Na+].[Cl-]
• Topological: 156
• Monoisotopic Mass: 652.3057173
• Synonyms: 4,4′-Methylenebis(aniline), compound with sodium chloride (3:1), 244-493-2, 21646-20-8, Chlorotris(4,4′-methylenedianiline) sodium, SCHEMBL2851475, DTXSID80893492, EINECS 244-493-2, NS00113219, Sodium, chlorotris(4,4′-methylenedianiline)-, Tris(4,4′-diaminodiphenylmethane)sodium chloride

Application

This sodium chloride-MDA complex serves as a precursor for advanced polyurethane and epoxy resin formulations, enhancing thermal stability in high-performance composites. Researchers utilize it as a ligand in transition metal catalysis for asymmetric synthesis applications. In materials science, it finds use in the development of conductive polymers and corrosion-resistant coatings due to its unique ionic-organic hybrid structure.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)

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