tris(propan-2-yloxy)neodymium

• ChemBase ID: 150187
• Molecular Formular: C9H21NdO3
• Molecular Mass: 321.50124
• Monoisotopic Mass: 319.05679253
• SMILES: CC(C)O[Nd](OC(C)C)OC(C)C
• Canonical SMILES: CC(O[Nd](OC(C)C)OC(C)C)C
• InChI: InChI=1S/3C3H7O.Nd/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
• InChIKey: HZHUIQPXRWTHNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(propan-2-yloxy)neodymium
• IUPAC Traditional name: triisopropoxyneodymium
• Synonyms: Neodymium(III) isopropoxide; 异丙醇钕(III)

Database IDs

• CAS Number: 19236-15-8
• MDL Number: MFCD00058819
• PubChem SID: 162244348; 24865690
• PubChem CID: 11012680

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: 25.409609 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: >300 °C(lit.)

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
• 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

• Purity: 99.8% trace metals basis
• Linear Formula: Nd(OCH(CH3)2)3

DETAILS

Sigma Aldrich - 410101

Packaging
1 g in ampule
Application
Precursor for a catalyst that is used in the living polymerization and block copolymerization of ε-caprolactone.1