Zirconium propoxide solution - 70 wt. % in n-propanol , CAS No.23519-77-9

CAS: 23519-77-9 Cat. No.: Z106340 Formula: C₁₂H₂₈O₄Zr Molecular Weight: 327.57 Beilstein Registry Number: 3679533 EC Number: 245-711-9 PubChem CID: 90139

GRADE & PURITY 70 wt. % in n-propanol

Synonyms

zirconium tetrapropoxide|ZIRCONIC ACID PROPYL ESTER|ZIRCONIUM TETRAKIS(1-PROPOXIDE)|Tetrapropyl zirconate|zirconium tetra propoxide|ZIRCONIUM(4+) PROPOXIDE|PROPYL ZIRCONATE|TETRAPROPOXYZIRCONIUM|Tetra-n-propyl zirconate|1-Propanol, zirconium(4+) salt|propan-1-olate;zirconium(4+)|Propyl alcohol, zirconium(4+) salt|zirconium tetrapropylate|zirconium propoxide|Zirconium tetrapropanolate|Zirconium(IV) Propoxide|1-Propanol, zirconium(4+) salt (4:1)|zirconium(iv) n-propoxide|TETRA-N-PROPOXYZIRCONIUM|ZIRCONIUM(4+) PROPANOLATE

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Application

Zirconium(IV) n-propoxide is used as a precursor in the production of zirconia. It is also used to study the thermophysical properties like thermal conductivity and thermal effusivity of hybrid films and thereby adjusting optic properties of the films.

Specifications

Synonyms

zirconium tetrapropoxide | ZIRCONIC ACID PROPYL ESTER | ZIRCONIUM TETRAKIS(1-PROPOXIDE) | Tetrapropyl zirconate | zirconium tetra propoxide | ZIRCONIUM(4+) PROPOXIDE | PROPYL ZIRCONATE | TETRAPROPOXYZIRCONIUM | Tetra-n-propyl zirconate | 1-Propanol, zirconium(4+) salt | propan-1-olate;zirconium(4+) | Propyl alcohol, zirconium(4+) salt | z Show more

Specifications & Purity

70 wt. % in n-propanol

Storage

Room temperature,Argon charged

Shipped In

Normal

Names and Identifiers

Pubchem Sid

504756014

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756014

Canonical Smiles

CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Zr+4]

IUPAC Name

propan-1-olate;zirconium(4+)

InChIKey

XPGAWFIWCWKDDL-UHFFFAOYSA-N

INCHI

1S/4C3H7O.Zr/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;+4

Isomeric SMILES

CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Zr+4]

WGK Germany

3

PubChem CID

90139

UN Number

1993

Packing Group

I

Molecular Weight

327.57

Beilstein

3679533

Reaxy-Rn

3935210

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic transition metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic transition metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic transition metal salts
• Alternative Parents: Organic zwitterions Organic oxides Hydrocarbon derivatives Alkoxides
• Molecular Framework: Not available
• Substituents: Organic transition metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Alkoxide - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic transition metal salts. These are organic salt compounds containing a transition metal atom in its ionic form.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in alcohol, toluene
• Sensitivity: Moisture sensitive.
• x_refractive_index: 1.451
• x_flash_point_drop_fahrenheit: 83°F
• x_flash_point_drop_centigrade: 28℃
• x_boil_point_char: 208°C
• Molecular Weight: 327.570 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 326.103 Da
• Monoisotopic Mass: 326.103 Da
• Topological Polar Surface Area: 92.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 7.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3