3,3-dioxo-1,1,1,5,5,5-hexaphenyl-2,4-dioxa-1,5-disila-3-chromapentane

• ChemBase ID: 151225
• Molecular Formular: C36H30CrO4Si2
• Molecular Mass: 634.7881
• Monoisotopic Mass: 634.10877
• SMILES: c1ccc(cc1)[Si](c1ccccc1)(c1ccccc1)O[Cr](=O)(=O)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=[Cr](=O)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/2C18H15OSi.Cr.2O/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;;;/q2*-1;+2
• InChIKey: AQLZCGLPNYEIDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dioxo-1,1,1,5,5,5-hexaphenyl-2,4-dioxa-1,5-disila-3-chromapentane
• IUPAC Traditional name: 3,3-dioxo-1,1,1,5,5,5-hexaphenyl-2,4-dioxa-1,5-disila-3-chromapentane
• Synonyms: Bis(triphenylsilyl) ester chromic acid; Bis(triphenylsilyl) chromate; 铬酸双(三苯基甲硅烷基)酯

Database IDs

• CAS Number: 1624-02-8
• EC Number: 216-612-8
• MDL Number: MFCD01736354
• PubChem SID: 24860393

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 9.6368
• LogD (pH = 7.4): 9.6368
• Log P: 9.6368
• Molar Refractivity: 158.432 cm^3
• Polarizability: 69.50804 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 159 °C (dec.)(lit.)

Safety Information

• RTECS: GB2685000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2811
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 49-43-50/53
• Safety Statements: 53-45-60-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H317-H350i-H410
• GHS Precautionary statements: P201-P273-P280-P308 + P313-P501
• 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 2811 6.1/PG 3

Product Information

• Purity: 96%
• Linear Formula: [(C6H5)3SiO]2CrO2

DETAILS

Sigma Aldrich - 336556

Packaging
1, 10 g in glass bottle
Application
Reactant for the XPS and XRD characterization of chromium-silica catalysts1Silyl chromate catalyst for
• Olefin polymerization2,3 and ethylene polymerization4,5
• Benzylic oxidations used as a phase transfer catalyst6