2,2,6,6-tetramethyl-N,N,3,5-tetrakis(trimethylsilyl)-3,5-diaza-2,6-disila-4-gadolinaheptan-4-amine

• ChemBase ID: 143202
• Molecular Formular: C18H54GdN3Si6
• Molecular Mass: 638.40446
• Monoisotopic Mass: 638.21743594
• SMILES: C[Si](C)(C)N([Si](C)(C)C)[Gd](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Canonical SMILES: C[Si](N([Si](C)(C)C)[Gd](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(C)C
• InChI: InChI=1S/3C6H18NSi2.Gd/c3*1-8(2,3)7-9(4,5)6;/h3*1-6H3;/q3*-1;+3
• InChIKey: LFWPRLGQJJEPDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethyl-N,N,3,5-tetrakis(trimethylsilyl)-3,5-diaza-2,6-disila-4-gadolinaheptan-4-amine
• IUPAC Traditional name: 2,2,6,6-tetramethyl-N,N,3,5-tetrakis(trimethylsilyl)-3,5-diaza-2,6-disila-4-gadolinaheptan-4-amine
• Synonyms: Tris[N,N-Bis(trimethylsilyl)amide]gadolinium(III); 三[N,N-双(三甲基甲硅烷基)酰胺]钆(III)

Database IDs

• CAS Number: 35789-03-8
• MDL Number: MFCD03427091
• PubChem SID: 24878983; 162237423
• PubChem CID: 4532221

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.1012793
• LogD (pH = 7.4): -0.6447602
• Log P: -0.0222
• Molar Refractivity: 116.097 cm^3
• Polarizability: 62.02232 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 67-90 °C(lit.)
• Flash Point: 2 °C; 35.6 °F

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3396
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-14/15-34
• Safety Statements: 7/8-16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H261-H314
• GHS Precautionary statements: P210-P231 + P232-P280-P305 + P351 + P338-P310-P422
• 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 3396 4.3/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 98%
• Linear Formula: Gd(N(Si(CH3)3)2)3

DETAILS

Sigma Aldrich - 547824

Application
In many asymmetric catalysis applications, glove box and Schlenk techniques should be employed to prevent exposure of the rare earth catalyst to air and moisture, which can be detrimental to the reaction outcome. Solutions of the catalyst should be made using anhydrous solvents and used shortly after preparation.
General description
Atomic number of base material: 64 Gadolinium
Packaging
1 g in glass bottle