Titanium(IV) isopropoxide(TiPT) - ≥99.9% metals basis , CAS No.546-68-9

CAS: 546-68-9 Cat. No.: T105736 Formula: C₁₂H₂₈O₄Ti Molecular Weight: 284.22 Beilstein Registry Number: 3679474 EC Number: 208-909-6 PubChem CID: 11026

GRADE & PURITY ≥99.9% metals basis

Synonyms

TTIP | Titanium(4+) isopropoxide | titaniumtetraisopropylate | propan-2-olate;titanium(4+) | Titanium isopropoxide(TTIP) | Ti(OiPr)4 | UNII-76NX7K235Y | 76NX7K235Y | HSDB 848 | Orgatix TA 10 | Titanic acid isopropyl ester | Titanium isopropylate | Titaniu

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

A precursor for the preparation of Titania。Commonly used as a precursor for the preparation of Titania (TiO2). Novel metal oxide/phosphonate hybrids were formed from titanium(IV) isopropoxide in a two-step sol-gel process. Starting material for barium-strontium-titanate thin films. Used to make porous titanosilicates, potential ion-exchange materials for cleanup of radioactive wastes. Applied in the formation of a heterosupermolecule consisting of a TiO2 nanocrystallite-viologen electron acceptor complexwhose light-induced electron transfer has been demonstrated.

Specifications

Synonyms

TTIP | Titanium(4+) isopropoxide | titaniumtetraisopropylate | propan-2-olate;titanium(4+) | Titanium isopropoxide(TTIP) | Ti(OiPr)4 | UNII-76NX7K235Y | 76NX7K235Y | HSDB 848 | Orgatix TA 10 | Titanic acid isopropyl ester | Titanium isopropylate | Titaniu

Specifications & Purity

≥99.9% metals basis

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥99.9% metals basis

Names and Identifiers

Pubchem Sid

504752052

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752052

Canonical Smiles

CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

IUPAC Name

propan-2-olate;titanium(4+)

InChIKey

VXUYXOFXAQZZMF-UHFFFAOYSA-N

INCHI

1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4

Isomeric SMILES

CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

WGK Germany

2

RTECS

NT8060000

PubChem CID

11026

UN Number

1993

Packing Group

I

Molecular Weight

284.22

Beilstein

3679474

Reaxy-Rn

3679474

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 water, anhydrous ethanol, chloroform, ether, and benzene.
• Sensitivity: Hygroscopic.
• Freezing Point(°C): 18 °C
• Refractive Index: 1.464
• Flash Point(°F): 113 °F
• Flash Point(°C): 46℃
• Boil Point(°C): 240°C
• Melt Point(°C): 15°C
• Molecular Weight: 284.220 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 284.147 Da
• Monoisotopic Mass: 284.147 Da
• Topological Polar Surface Area: 92.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 10.800
• 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

Frequently Asked Questions

What does the trace-metals specification mean?

This product is specified at ≥99.9% on a trace-metals basis. That figure describes metallic impurity content rather than overall chemical assay, so it is the relevant specification for ICP-MS, semiconductor and battery applications. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 546-68-9, the molecular formula is C12H28O4Ti, and the molecular weight is 284.22 g/mol. InChIKey VXUYXOFXAQZZMF-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.