oxotris(propan-2-yloxy)vanadium

• ChemBase ID: 144190
• Molecular Formular: C9H21O4V
• Molecular Mass: 244.20214
• Monoisotopic Mass: 244.08794365
• SMILES: CC(C)O[V](=O)(OC(C)C)OC(C)C
• Canonical SMILES: CC(O[V](=O)(OC(C)C)OC(C)C)C
• InChI: InChI=1S/3C3H7O.O.V/c3*1-3(2)4;;/h3*3H,1-2H3;;/q3*-1;;+3
• InChIKey: DSGGJXAUQHKOGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxotris(propan-2-yloxy)vanadium
• IUPAC Traditional name: triisopropoxy(oxo)vanadium
• Synonyms: VTIP; Triisopropoxyvanadium(V) oxide; Vanadium(V) trisisopropoxide oxide; Vanadium(V) oxytriisopropoxide; Isopropyl orthovanadate; Vanadium(V) oxytriisopropoxide; Vanadium(V) triisopropoxide oxide; 三异丙氧基氧化钒; 三异丙醇氧钒(V); 三异丙氧基氧化钒(V); 三异丙醇氧钒(V)

Database IDs

• CAS Number: 5588-84-1
• EC Number: 226-997-4
• MDL Number: MFCD00015017
• PubChem SID: 162238407; 24865281
• PubChem CID: 79702

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4905
• LogD (pH = 7.4): 2.4905
• Log P: 2.4905
• Molar Refractivity: 50.0858 cm^3
• Polarizability: 23.223392 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid; Liquid
• Melting Point: -12°C
• Boiling Point: 80-82 °C/2 mmHg(lit.); 81-83°C/2mm
• Flash Point: 113 °F; 45 °C; 45°C(113°F)
• Density: 1.035 g/mL at 25 °C(lit.); 1.04
• Refractive Index: n20/D 1.479(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-27; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 96%
• Linear Formula: OV(OCH(CH3)2)3

DETAILS

Sigma Aldrich - 404926

Packaging
1, 10 g in glass bottle
Application
Building block for a series of neutral oxovanadium complexes containing both ethoxide and acetylacetonate ligands the complexes have potential biological relevance as well as uses in catalysis.1
Protocols & Applications
Asymmetric Epoxidation of Allylic Alcohols
Asymmetric Epoxidation of Homoallylic Alcohols
Asymmetric Ketone Hydrogenation
Asymmetric Transfer Hydrogenation

Sigma Aldrich - 736007

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
25 g in ss cylinder