tetrakis(tert-butoxy)hafnium

• ChemBase ID: 146965
• Molecular Formular: C16H36HfO4
• Molecular Mass: 470.94464
• Monoisotopic Mass: 472.20790963
• SMILES: CC(C)(C)O[Hf](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
• Canonical SMILES: CC(O[Hf](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(C)C
• InChI: InChI=1S/4C4H9O.Hf/c4*1-4(2,3)5;/h4*1-3H3;/q4*-1;+4
• InChIKey: WZVIPWQGBBCHJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(tert-butoxy)hafnium
• IUPAC Traditional name: tetrakis(tert-butoxy)hafnium
• Synonyms: Hafnium(IV) tert-butoxide; 叔丁醇铪

Database IDs

• CAS Number: 2172-02-3
• MDL Number: MFCD00070458
• PubChem SID: 24868190; 162241157
• PubChem CID: 5102531

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 4.102
• LogD (pH = 7.4): 4.102
• Log P: 4.102
• Molar Refractivity: 83.41 cm^3
• Polarizability: 40.08365 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 4

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 90 °C/5 mmHg(lit.)
• Flash Point: 28 °C; 82.4 °F
• Density: 1.166 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.424(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 99.99% trace metals basis (purity excludes ~2000 ppm zirconium.)
• Linear Formula: Hf[OC(CH3)3]4

DETAILS

Sigma Aldrich - 445541

General description
Atomic number of base material: 72 Hafnium
Packaging
5 g in ampule