Zirconium butoxide solution - 80 wt. % in n-butanol , CAS No.1071-76-7

CAS: 1071-76-7 Cat. No.: Z106334 Molecular Weight: 383.68 Beilstein Registry Number: 4132649 EC Number: 213-995-3 PubChem CID: 160560

GRADE & PURITY 80 wt. % in n-butanol

Synonyms

BSDOQSMQCZQLDV-UHFFFAOYSA-N | 1-Butanol, zirconium(4+) salt (4:1) | Q27260658 | BRN 1983292 | butan-1-olate;zirconium(4+) | Zirconium tetrabutoxide | ORGATIX ZA 60 | ZIRCONIUM TETRAKIS(BUTOXIDE) | Butyl alcohol, zirconium(4+) salt | EINECS 213-995-3 | UNI

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Zirconium(IV) butoxide solution used in the preparation of CeO2-stabilized zirconia polycrystals gel that have good applications as protective coatings of steel and ferrous alloys.

Specifications

Synonyms

BSDOQSMQCZQLDV-UHFFFAOYSA-N | 1-Butanol, zirconium(4+) salt (4:1) | Q27260658 | BRN 1983292 | butan-1-olate;zirconium(4+) | Zirconium tetrabutoxide | ORGATIX ZA 60 | ZIRCONIUM TETRAKIS(BUTOXIDE) | Butyl alcohol, zirconium(4+) salt | EINECS 213-995-3 | UNI

Specifications & Purity

80 wt. % in n-butanol

Storage

Room temperature, Argon charged

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Zr+4]
• IUPAC Name: butan-1-olate;zirconium(4+)
• InChIKey: BSDOQSMQCZQLDV-UHFFFAOYSA-N
• INCHI: 1S/4C4H9O.Zr/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4
• Isomeric SMILES: CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Zr+4]
• WGK Germany: 3
• PubChem CID: 160560
• UN Number: 1993
• Molecular Weight: 383.68
• Beilstein: 4132649
• Reaxy-Rn: 11535206

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

• Sensitivity: Moisture sensitive
• Refractive Index: 1.466
• Flash Point(°C): 38℃
• Boil Point(°C): 117°C
• Molecular Weight: 383.680 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 382.166 Da
• Monoisotopic Mass: 382.166 Da
• Topological Polar Surface Area: 92.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 13.100
• 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

References

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