tris(propan-2-yloxy)scandium

• ChemBase ID: 150421
• Molecular Formular: C9H21O3Sc
• Molecular Mass: 222.21715
• Monoisotopic Mass: 222.10498143
• SMILES: CC(C)O[Sc](OC(C)C)OC(C)C
• Canonical SMILES: CC(O[Sc](OC(C)C)OC(C)C)C
• InChI: InChI=1S/3C3H7O.Sc/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
• InChIKey: SLACPSWSQQIQTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(propan-2-yloxy)scandium
• IUPAC Traditional name: triisopropoxyscandium
• Synonyms: Scandium(III) isopropoxide; 异丙氧化钪(III)

Database IDs

• CAS Number: 60406-93-1
• MDL Number: MFCD00192432
• PubChem SID: 162244582; 24865692
• PubChem CID: 71311466

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8419
• LogD (pH = 7.4): 2.8419
• Log P: 2.8419
• Molar Refractivity: 48.6429 cm^3
• Polarizability: 22.461111 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2925
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-34
• Safety Statements: 16-26-33-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H314
• GHS Precautionary statements: P210-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 2925 4.1/PG 2

Product Information

• Linear Formula: Sc(OCH(CH3)2)3

DETAILS

Sigma Aldrich - 410128

Packaging
1 g in glass bottle