tetrakis(propan-2-yloxy)hafnium

• ChemBase ID: 141241
• Molecular Formular: C12H28HfO4
• Molecular Mass: 414.83832
• Monoisotopic Mass: 416.14530938
• SMILES: CC(C)O[Hf](OC(C)C)(OC(C)C)OC(C)C
• Canonical SMILES: CC(O[Hf](OC(C)C)(OC(C)C)OC(C)C)C
• InChI: InChI=1S/4C3H7O.Hf/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
• InChIKey: HRDRRWUDXWRQTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(propan-2-yloxy)hafnium
• IUPAC Traditional name: tetraisopropoxyhafnium
• Synonyms: Hafnium isopropoxide isopropanol adduct; 异丙氧化铪异丙醇加合物

Database IDs

• CAS Number: 2171-99-5
• MDL Number: MFCD00070460
• PubChem SID: 162235476
• PubChem CID: 71310589

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7892
• LogD (pH = 7.4): 3.7892
• Log P: 3.7892
• Molar Refractivity: 64.8572 cm^3
• Polarizability: 32.868557 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3181
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 3
• Risk Statements: 11-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3181 4.1/PG 3

Product Information

• Purity: 99.9% trace metals basis
• Impurities: ~1% Zr
• Empirical Formula (Hill Notation): C12H28HfO4

DETAILS

Sigma Aldrich - 697508

Packaging
5 g in glass bottle