Titanium(IV) oxide - PharmPure™, USP, BP, puriss., Ph.Eur., ≥99% , CAS No.13463-67-7

CAS: 13463-67-7 Cat. No.: T431946 Formula: TiO₂ Molecular Weight: 79.87 EC Number: 236-675-5

GRADE & PURITY PharmPure™, USP, BP, puriss., Ph.Eur., ≥99%

Synonyms

Aerosil P 25 | A-Fil | Anatase (TiO2) | Bayertitan A | Bayertitan AN 3 | Calcotone White T | NCI-C0424O | Tronox | Tioxide RSM | Tioxide R-SM | Aerosil T 805 | Cosmetic White C47-5175 | Rutiox CR | Kronos RN 40P | Kronos titanium dioxide | Amperit 780.0 |

Storage

Room temperature

Overview

Titanium dioxide (TiO 2 , titania) is one of the most important materials having various important applications, such as water and air purification, self-cleaning materials and photovoltaic cells. TiO 2 is an n-type semiconductor having a wide band gap (3.2eV for anatase and 3.0eV for rutile). Deposition of thin films of TiO 2 doped with Mn on F-doped SnO2-coated glass by spin coating has been described. Deposition of thin films of titanium dioxide (TiO 2 ) on various substrates by a simple sol-gel dip coating technique has been proposed. It has various photocatalytic applications where it can be used in two forms, i.e as highly dispersed fine particles on porous support materials and as suspended fluids in liquid medium. Titanium(IV) oxide is a white colored compound, which can be used as a coloring pigment in paints and a main ingredient of cosmetics and toothpaste. It can be prepared via reaction of titanium(IV) chloride with oxygen gas. It can also find applications in photovoltaics, photocatalysis and gas sensors.

Specifications

Synonyms

Aerosil P 25 | A-Fil | Anatase (TiO2) | Bayertitan A | Bayertitan AN 3 | Calcotone White T | NCI-C0424O | Tronox | Tioxide RSM | Tioxide R-SM | Aerosil T 805 | Cosmetic White C47-5175 | Rutiox CR | Kronos RN 40P | Kronos titanium dioxide | Amperit 780.0 |

Specifications & Purity

PharmPure™, USP, BP, puriss., Ph.Eur., ≥99%

Storage

Room temperature

Grade

BP, Ph.Eur., PharmPure™, puriss., USP

Purity

≥99%

Names and Identifiers

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

• Boil Point(°C): 2900 °C/1013 hPa
• Melt Point(°C): 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does PharmPure? mean?

PharmPure? refers to material produced and controlled to meet the requirements of pharmaceutical manufacturing and regulated workflows. Depending on the specific designation (GMP, RUO, Bio-medical, Injection grade, etc.), this may include controlled manufacturing environments, validated processes, audit-ready documentation and traceability.

What does USP mean?

USP indicates that the material complies with the published monographs of the relevant pharmacopoeia (USP). Specifications include identity, assay, impurity limits, residual solvents and other tests defined in the monograph. USP-compliant material is suitable for pharmacopoeia-compliant pharmaceutical use, including pharmaceutical manufacturing, QC and regulatory submission.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13463-67-7, the molecular formula is TiO2, and the molecular weight is 79.87 g/mol. InChIKey GWEVSGVZZGPLCZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.