4,4-dichloro-2,2,6,6-tetramethyl-3,5-bis(trimethylsilyl)-3,5-diaza-2,6-disila-4-hafnaheptane

• ChemBase ID: 142131
• Molecular Formular: C12H36Cl2HfN2Si4
• Molecular Mass: 570.16564
• Monoisotopic Mass: 570.07981065
• SMILES: C[Si](C)(C)N([Si](C)(C)C)[Hf](N([Si](C)(C)C)[Si](C)(C)C)(Cl)Cl
• Canonical SMILES: C[Si](N([Hf](N([Si](C)(C)C)[Si](C)(C)C)(Cl)Cl)[Si](C)(C)C)(C)C
• InChI: InChI=1S/2C6H18NSi2.2ClH.Hf/c2*1-8(2,3)7-9(4,5)6;;;/h2*1-6H3;2*1H;/q2*-1;;;+4/p-2
• InChIKey: HKZRZVQUSXQGFM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-dichloro-2,2,6,6-tetramethyl-3,5-bis(trimethylsilyl)-3,5-diaza-2,6-disila-4-hafnaheptane
• IUPAC Traditional name: 4,4-dichloro-2,2,6,6-tetramethyl-3,5-bis(trimethylsilyl)-3,5-diaza-2,6-disila-4-hafnaheptane
• Synonyms: Bis(trimethylsilyl)amidohafnium(IV) chloride; 双(三甲基甲硅烷基)氯化氨基铪(IV)

Database IDs

• CAS Number: 70969-29-8
• MDL Number: MFCD08275494
• PubChem SID: 24896186

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 0.7614604
• LogD (pH = 7.4): 1.2039543
• Log P: 1.2542
• Molar Refractivity: 89.6706 cm^3
• Polarizability: 48.437183 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false
• H Acceptors: 2

PROPERTIES

Physical Property

• Apperance: low-melting solid
• Melting Point: 40-44 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, 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 3261 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95%; ≥99.99% trace metals basis
• Linear Formula: [[(CH3)3Si]2N]2HfCl2

DETAILS

Sigma Aldrich - J100005

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