Description

N,N-dimethylanilinium tetrakis(pentafluorophenyl)borate (CAS: 118612-00-3) is a highly specialized organoboron compound with the molecular formula C₃₂H₁₂BF₂₀N. This crystalline salt is widely recognized in advanced chemical research and industrial applications due to its strong Lewis acid characteristics and exceptional thermal stability. Its unique structure, featuring a tetrakis(pentafluorophenyl)borate anion paired with a dimethylanilinium cation, makes it a valuable catalyst or co-catalyst in polymerization reactions, particularly in olefin and metallocene-based systems. The compound’s electron-withdrawing pentafluorophenyl groups enhance its reactivity, while its air- and moisture-sensitive nature requires careful handling under inert conditions. Supplied as a high-purity solid, it is ideal for fine chemical synthesis, materials science, and coordination chemistry studies.

Properties

• CAS Number: 118612-00-3
• Complexity: 880
• IUPAC Name: dimethyl(phenyl)ammonium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• InChI: InChI=1S/C24BF20.C8H11N/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-9(2)8-6-4-3-5-7-8/h;3-7H,1-2H3/q-1;/p+1
• InChI Key: BRHZQNMGSKUUMN-UHFFFAOYSA-O
• Exact Mass: 801.0743428
• Molecular Formula: C32H12BF20N
• Molecular Weight: 801.2
• SMILES: [B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.C[NH+](C)C1=CC=CC=C1
• Topological: 4.4
• Monoisotopic Mass: 801.0743428
• Synonyms: 118612-00-3, dimethylanilinium tetrakis(pentafluorophenyl)borate, N,N-dimethylanilinium tetrakis(pentafluorophenyl)borate, n,n-dimethylanilinium tetra(pentafluorophenyl)borate, UNII-H8R86L92ND, H8R86L92ND, N,N-Dimethylanilinium tetrakis(pentafluorophenyl)borate(1-), Benzenamine, N,N-dimethyl-, tetrakis(pentafluorophenyl)borate(1-), EC 422-050-6, Dimethyl(phenyl)ammonium tetrakis(2,3,4,5,6-pentafluorophenyl)borate, 422-050-6, N,N-dimethylbenzenaminium tetrakis(perfluorophenyl)borate, dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide, dimethylanilinium tetrakis (pentafluorophenyl)borate, MFCD12913898, SCHEMBL116944, DTXSID101026412, N,N-dimethylanilinium; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide, AKOS015900116, BS-44146, D4404, T70129, dimethyl aniliniumtetrakis (pentafluorophenyl)borate, dimethylanilinium tetrakis(pentafluorophenyl) borate, Q27279770, N, N-dimethylanilinium tetrakis(pentafluorophenyl)borate, n,n-dimethylanilinium tetrakis (pentafluorophenyl)borate, N,N-dimethylbenzenaminiumtetrakis(perfluorophenyl)borate

This compound serves as a potent activator in metallocene-catalyzed polymerization, enabling precise control over polymer microstructure. It is also employed in organic synthesis as a weakly coordinating anion (WCA) for stabilizing highly reactive cationic intermediates. Additionally, researchers utilize it in electrochemical applications due to its non-nucleophilic borate anion properties.

Safety and Hazards

GHS Hazard Statements

• Not Classified

Precautionary Statements

• P203, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P332+P317, P362+P364, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (100%)
• Carc. 2 (100%)

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