Titanium oxide - AR, ≥99% , CAS No.13463-67-7

CAS: 13463-67-7 Cat. No.: T105418 Formula: TiO₂ Molecular Weight: 79.87 EC Number: 236-675-5

GRADE & PURITY AR, ≥99%

Synonyms

Bis(oxido)titanium | Titanium(IV) Oxide | Titanium Dioxide

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Bis(oxido)titanium | Titanium(IV) Oxide | Titanium Dioxide

Specifications & Purity

AR, ≥99%

Storage

Room temperature

Shipped In

Normal

Grade

AR

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 508812146
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508812146
• Canonical Smiles: O=[Ti]=O
• IUPAC Name: dioxotitanium
• InChIKey: GWEVSGVZZGPLCZ-UHFFFAOYSA-N
• INCHI: 1S/2O.Ti
• Isomeric SMILES: O=[Ti]=O
• Molecular Weight: 79.87

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Transition metal organides
      • Subclass Transition metal oxides

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Transition metal organides
• Subclass: Transition metal oxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Transition metal oxides
• Alternative Parents: Inorganic salts Inorganic oxides
• Molecular Framework: Not available
• Substituents: Transition metal oxide - Inorganic oxide - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.
• External Descriptors: titanium molecular entity

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: Hygroscopic
• x_boil_point_char: 2900 °C/1013 hPa
• x_melt_point_char: 1855 °C
• Molecular Weight: 79.866 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 79.9378 Da
• Monoisotopic Mass: 79.9378 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 18.300
• 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: 1

XLogP3