bis(3-methylcyclopenta-2,4-dien-1-ide); methoxy(methyl)hafniumbis(ylium)

• ChemBase ID: 143497
• Molecular Formular: C14H20HfO
• Molecular Mass: 382.798
• Monoisotopic Mass: 384.09796526
• SMILES: CC1=C[CH-]C=C1.CC1=C[CH-]C=C1.CO[Hf+2]C
• Canonical SMILES: CC1=C[CH-]C=C1.CC1=C[CH-]C=C1.C[Hf+2]OC
• InChI: InChI=1S/2C6H7.CH3O.CH3.Hf/c2*1-6-4-2-3-5-6;1-2;;/h2*2-5H,1H3;1H3;1H3;/q3*-1;;+3
• InChIKey: YDDHSUUZWCMQEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(3-methylcyclopenta-2,4-dien-1-ide); methoxy(methyl)hafniumbis(ylium)
• IUPAC Traditional name: bis(3-methylcyclopenta-2,4-dien-1-ide); methoxy(methyl)hafniumbis(ylium)
• Synonyms: HfD-CO4; Bis(methyl-η5-cyclopentadienyl)methoxymethylhafnium; 双(甲基-η5-环戊二烯)甲氧甲基铪

Database IDs

• MDL Number: MFCD16875686
• PubChem SID: 162237716
• PubChem CID: 71310965

CALCULATED PROPERTIES

• Acid pKa: 16.116909
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7423613
• LogD (pH = 7.4): 1.7423613
• Log P: 2.7152
• Molar Refractivity: 26.7562 cm^3
• Polarizability: 10.544586 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: yellow liquid
• Boiling Point: 105 °C/0.3-0.4 mmHg(lit.)
• Flash Point: 106 °C; 222.8 °F
• Density: 1.63 g/mL±0.01 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Linear Formula: HfCH3(OCH3)[C5H4(CH3)]2

DETAILS

Sigma Aldrich - 725498

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Advanced precursor for atomic layer deposition of HfO2 thin films. Hafnium and zirconium oxides are leading candidates to replace silicion dioxide as the gate oxide in a variety of semiconductor and energy applications.1 Excellent properties of HfO2 and ZrO2 films make them especially attractive for gate oxide replacement and as potential insulating dielectrics for capacitive elements in memory devices such as DRAM.2
Features and Benefits
Compatible with a variety of oxidants in ALD growth processes across a wide temperature range exhibiting self limiting growth up to 400 °C. Precursor volatility and thermal stability properties enable easy materials transport from bubblers into conventional deposition tools.
General description
Atomic number of base material: 72 Hafnium
Packaging
10 g in ss cylinder
Packaged in stainless steel cylinders compatible with conventional deposition systems. Precursors may be used in liquid injection systems as dilute solutions and in combination with a variety of other sources to deposit mixed oxides.
Protocols & Applications
Precursors Packaged for Depositions Systems