CAS 111053-49-7

ZIRCONIUM (BIS-2,2-(ALLYLOXYMETHYL)BUTOXIDE)TRIS(DIOCTYLPHOSPHATE)

Description:

Zirconium (bis-2,2-(allyloxymethyl)butoxide)tris(dioctylphosphate), with CAS number 111053-49-7, is a complex organometallic compound that features zirconium as its central metal atom. This substance is characterized by its coordination with multiple ligands, including bis-2,2-(allyloxymethyl)butoxide and dioctylphosphate. The presence of these organic ligands imparts unique solubility and reactivity properties, making it useful in various applications, particularly in the fields of catalysis and materials science. The compound is typically a viscous liquid or solid, depending on temperature and formulation, and exhibits stability under ambient conditions. Its structure allows for potential interactions with other organic and inorganic materials, facilitating its use in the synthesis of advanced materials, such as ceramics and composites. Additionally, the dioctylphosphate ligands contribute to its surfactant properties, enhancing its compatibility with different solvents and substrates. Safety data should be consulted for handling, as organometallic compounds can pose health and environmental risks.

Formula: C₆₀H₁₂₃O₁₅P₃Zr

InChI: InChI=1/3C16H35O4P.C12H21O3.Zr/c3*1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;1-4-7-14-10-12(6-3,9-13)11-15-8-5-2;/h3*3-16H2,1-2H3,(H,17,18);4-5H,1-2,6-11H2,3H3;/q;;;-1;+4/p-3/rC60H123O15P3Zr/c1-10-19-25-31-37-43-51-66-76(61,67-52-44-38-32-26-20-11-2)73-79(72-59-60(18-9,57-64-49-16-7)58-65-50-17-8,74-77(62,68-53-45-39-33-27-21-12-3)69-54-46-40-34-28-22-13-4)75-78(63,70-55-47-41-35-29-23-14-5)71-56-48-42-36-30-24-15-6/h16-17H,7-8,10-15,18-59H2,1-6,9H3

SMILES: CCCCCCCCOP(=O)(O)OCCCCCCCC.CCCCCCCCOP(=O)(O)OCCCCCCCC.CCCCCCCCOP(=O)(O)OCCCCCCCC.C=CCOCC(CC)(C[O-])COCC=C.[Zr]

Synonyms:

• 2,2-Bis(Allyloxymethyl)Butoxy-Tris(Dioctoxyphosphoryloxy)Zirconium