Titanyl phthalocyanine

Basic Information

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CAS Number

26201-32-1

Molecular Formula

C32H22N8OTi

Molecular Weight

561.41 g/mol

EINECS

419-970-5

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

395.1 °C (dec.)

SMILES

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[Ti]C1=CC=CC(C2=N3)=C1C(N2)=NC4=NC(C5=CC=CC=C54)=NC(N6)=C7C=CC=CC7=C6N=C8C9=CC=CC=C9C3=N8

InChI

InChI=1S/C32H17N8.Ti/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-15H,(H2,33,34,35,36,37,38,39,40);

InChIKey

QJVLCISWTWVWEE-UHFFFAOYSA-N

LogP

6.041300000000003

Topological Polar Surface Area

108.91999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

711

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Phthalocyanine titanium oxide §Oxytitanium phthalocyanine
TITANYL PHTHALOCYANINE, BETA MODIFICATI&
PhthalocyanineTitanyl
PHTHALOCYANINE TITANIUM OXIDE COMPLEX, Y-MODIFICATION
Oxytitamiumphthalocyanine
oxo[29H,31H-phthalocyaninato-N29, N30, N31, N32]-, (SP-5-12)-Titanium
29H,31H-Phthalocyanine titanium oxide
Phthalocyanine titanium oxide §-modification
TiOPC
Titanyl Phthalocyanine (purified by sublimation)
Titanyl Phthalocyanine
PHTHALOCYANINE TITANIUM OXIDE
Iodide Ionophore IV
Oxo(phthalocyaninato)titanium
oxotitanium phthalocyanine
oxotitanylphthalocyanine
Oxytitamium phthalocyanine,γ-modification
Oxytitanium phthalocyanine
Titanium Oxide Phthalocyanine
Titanyl phthalocyani
Oxo[29H,31H-phthalocyaninato(2-)]titanium
Oxo(phthalocyaninato)titanium (purified by sublimation)
TiOPc (purified by sublimation)
Titanium,oxo[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-5-12)-
Titanium,oxo[phthalocyaninato(2-)]- (7CI,8CI)
29H,31H-Phthalocyanine, titanium complex
ELA 7051
Fastogen Blue 8310
Phthalocyaninetitanyl complex
T 22S
a-Titanyl phthalocyanine

MDL Number

MFCD00145414

EC Number

419-970-5

Customs Code

29339900

FAQ

What are the physical and chemical properties of Titanyl phthalocyanine (CAS: 26201-32-1)?

Titanyl phthalocyanine (CAS: 26201-32-1) is a blue crystalline solid with a molecular weight of approximately 600 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is known for its high stability and photophysical properties, making it reactive under certain conditions.

How is Titanyl phthalocyanine (CAS: 26201-32-1) typically synthesized?

Titanyl phthalocyanine (CAS: 26201-32-1) is typically synthesized through the amidation of phthalocyanine with titanium(IV) chloride. Common solvents include dichloromethane, and the process involves heating under reflux for several hours. The reaction is selective and yields a high percentage of the product.

What industries use Titanyl phthalocyanine (CAS: 26201-32-1)?

Titanyl phthalocyanine (CAS: 26201-32-1) is widely used in the dye and pigment industry for its vibrant blue color. It is also applied in pharmaceuticals for drug delivery systems, in polymers for its photochromic properties, and in sensors for its responsiveness to light and other stimuli.

What precautions should be taken when handling Titanyl phthalocyanine (CAS: 26201-32-1)?

When handling Titanyl phthalocyanine (CAS: 26201-32-1), wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a cool, dry place, away from direct sunlight and heat sources. Use a fume hood during handling to minimize inhalation. In case of spill, follow the safety data sheet (SDS) guidelines for proper disposal.