Hafnium (IV) chloride

Base Information

• Chemical Name: Hafnium (IV) chloride
• CAS No.: 13499-05-3
• Molecular Formula: Cl4Hf
• Molecular Weight: 320.302
• Hs Code.: 28273985
• UNII: CNZ9V5JM5H
• DSSTox Substance ID: DTXSID0065513
• Nikkaji Number: J95.191I
• Mol file: 13499-05-3.mol

Synonyms:HAFNIUM (IV) CHLORIDE;hafnium-tetrachloride;DTXSID0065513;PDPJQWYGJJBYLF-UHFFFAOYSA-J;HAFNIUM TETRACHLORIDE [MI]

Chemical Property of Hafnium (IV) chloride

Chemical Property:

• Appearance/Colour: white crystalline solid
• Vapor Pressure: 1 mm Hg ( 190 °C)
• Melting Point: 319 °C
• Boiling Point: 319.0oC (sublimes)
• PSA: 0.00000
• Density: 1.89 g/cm3
• LogP: 2.75800
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Solubility.: Soluble in methanol and acetone.
• Water Solubility.: Soluble in water, methanol and acetone.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 321.81902
• Heavy Atom Count: 5
• Complexity: 0

Purity/Quality:

99.9% ^*data from raw suppliers

Tetrachlorohafnium ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Hf+4]
• Physical properties: White monoclinic crystal; sublimes at 317°C; melts at 432°C at 33 atm (triple point); critical temperature 452.5°C; critical pressure 53.49 atm; critical volume 314 cm3/mol; Soluble in methanol, acetone, reacts strongly with water, highly hygroscopic, hydrolyzes in water.
• Uses: Hafnium tetrachloride is an important intermediate in production of hafnium metal. It also is used to prepare many hafnium compounds. Hafnium chloride tetrahydrofuran complex is an efficient catalyst for the Diels-Alder cycloadditions, Ziegler-Natta polymerization of alkenes. It is used as control rods in nuclear reactors and in manufacture of light bulb filaments. Hafnium (IV) chloride can be used to catalyze the direct ester condensation of carboxylic acids with alcohols effectively.

Technology Process of Hafnium (IV) chloride

There total 9 articles about Hafnium (IV) chloride 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: 55.0%

(cyclopentadienyl)2hafnium dichloride → (η-cyclopentadienyl)hafnium trichloride + hafnium tetrachloride (13499-05-3)

Guidance literature:

With CCl₄; Cl₂; Slow introduction of Cl2 (dried over H2SO4) through a gas inlet tube ending above the surface of stirred suspn. of HfCp2Cl2 and dry CCl4 (Ar, 20-23°C, ca. 30 min), occasional cooling of mixt. using ice/water bath.; Removal of Cl2 excess from mixt. with Ar, recovering of resulting materials by filtn. and washing (CCl4, CHCl3, petroleum ether), elem. anal.;

DOI:10.1002/hlca.19890720804

Reference yield:

tetrachloromethane (56-23-5) + hafnium(IV) oxide → phosgene (75-44-5) + 1,1,2,2-tetrachloroethylene (127-18-4) + carbon dioxide (124-38-9,18923-20-1) + chlorine (7782-50-5) + hafnium tetrachloride (13499-05-3)

Guidance literature:

In neat (no solvent); byproducts: O2; reaction bagins at 540K; mechanism discussed;; Kinetics;

Reference yield:

hafnium carbide + chlorine (7782-50-5) → hafnium tetrachloride (13499-05-3)

Guidance literature:

upstream raw materials:

chlorine

thionyl chloride

disulfur dichloride

pyrographite

Downstream raw materials:

2-methyl-butyl acrylate

hydrogenchloride

hafnium hydroxide

{1.2-bis(diphenylphosphino)propane-P,P'}tetrachlorohafnium(IV)

Refernces

• 1、 Sontag, Christoph,Berke, Heinz,Sarter, Christian,Erker, Gerhard. "Interconversion of (η3-Allyl)(η4-conjugated-diene) (η5-cyclopentadienyl)zirconium and -hafnium Stereoisomers. Evidence for the Simultaneous Rearrangement of Diene and Allyl Ligands". . p. 1676 - 1689. Retrieved 1989.
• 2、 Arthers, Stephen A.,Beattie, Ian R.. "The Vibrational Spectra of some Tetrachlorides in Rare Gas Matrices with particular Reference to the Molecular Shapes of ThCl4 and UCl4". . p. 819 - 826. Retrieved 2007/10/02.