Hafnium(4+);methanidylbenzene

Base Information

• Chemical Name: Hafnium(4+);methanidylbenzene
• CAS No.: 31406-67-4
• Molecular Formula: C28H28 Hf
• Molecular Weight: 543.02
• Hs Code.: 2902909090
• European Community (EC) Number: 683-689-6
• DSSTox Substance ID: DTXSID30399691
• Mol file: 31406-67-4.mol

Synonyms:31406-67-4;hafnium(4+);methanidylbenzene;Hafnium, tetrakis(phenylmethyl)-;DTXSID30399691

Chemical Property of Hafnium(4+);methanidylbenzene

Chemical Property:

• Melting Point: 99-104 °C(lit.)
• PSA: 0.00000
• LogP: 8.00920
• Storage Temp.: below 5° C
• Sensitive.: air sensitive, heat sensitive, m
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 544.16566
• Heavy Atom Count: 29
• Complexity: 42

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tetrabenzylhafnium, min. 97% ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 15-16-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Hf+4]

Technology Process of Hafnium(4+);methanidylbenzene

There total 2 articles about Hafnium(4+);methanidylbenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

dipyridinium-hexachlorohafnate + benzylmagnesium chloride (6921-34-2) → tetra(benzyl)hafnium (31406-67-4)

Guidance literature:

In diethyl ether; byproducts: MgCl2, pyridine, C6H5CH3; (Ar); Hf-compound added to a soln. of organic compound under stirring at -40°C; stirred for 3 h at -30°C; filtered; dried in vacuo; extracted with hot pentane; cooled;

Reference yield: 66.5%

phenylmagnesium bromide (1589-82-8) + hafnium tetrachloride (13499-05-3) → tetra(benzyl)hafnium (31406-67-4)

Guidance literature:

In diethyl ether; dichloromethane; at -70 - 20 ℃; for 18h; Product distribution / selectivity;

Reference yield: 100.0%

C25H20N2S + tetra(benzyl)hafnium (31406-67-4) → C39H32HfN2S

Guidance literature:

In toluene; at 50 ℃; for 3h; Schlenk technique; Inert atmosphere;

upstream raw materials:

phenylmagnesium bromide

hafnium tetrachloride

benzylmagnesium chloride